data_1fmf_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 1fmf _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -91.75 109.99 21.32 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.823 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.68 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 10.5 m -99.71 130.64 45.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 111.638 -2.528 . . . . 0.0 107.079 166.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.54 144.29 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 164.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.332 2.5 t -130.27 116.36 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 CA-C-N 110.553 -3.021 . . . . 0.0 103.786 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 129.07 55.31 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 118.331 -1.347 . . . . 0.0 108.614 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.13 145.71 16.0 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.323 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.19 120.67 46.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.864 -1.935 . . . . 0.0 105.88 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -96.8 129.18 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 110.787 -2.915 . . . . 0.0 108.589 -158.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.223 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.404 178.264 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 C--O 1.219 -0.504 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -63.57 -43.32 97.37 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 125.106 1.504 . . . . 0.0 111.93 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -75.36 -36.9 60.89 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.724 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.99 84.97 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.868 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -67.56 -20.45 65.4 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 111.886 -2.416 . . . . 0.0 112.604 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 6.13 16.81 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.737 0.648 . . . . 0.0 110.856 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 17.73 76.27 Favored Glycine 0 C--N 1.353 1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.007 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -96.01 151.15 19.7 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 117.511 -1.676 . . . . 0.0 108.012 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.98 109.76 12.32 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 164.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.69 109.04 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.79 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.93 114.08 27.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 111.186 -2.734 . . . . 0.0 107.451 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -85.87 103.55 14.71 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.514 -1.676 . . . . 0.0 107.223 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -68.96 -24.64 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 111.938 -2.392 . . . . 0.0 110.437 -173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.53 149.66 8.97 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.784 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.7 t -80.95 131.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 113.734 -1.233 . . . . 0.0 107.712 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp 64.41 106.75 0.03 OUTLIER 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.61 1.819 . . . . 0.0 108.774 -161.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -162.44 141.93 9.4 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.465 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.645 -2.071 . . . . 0.0 109.046 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.43 -28.5 70.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 113.416 -1.72 . . . . 0.0 114.631 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.99 -14.69 63.17 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 117.614 -1.634 . . . . 0.0 112.162 173.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -84.1 -29.57 26.67 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 124.187 0.93 . . . . 0.0 111.575 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.4 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -75.86 -43.23 46.68 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 123.513 1.625 . . . . 0.0 111.089 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.83 -39.66 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 109.579 -3.464 . . . . 0.0 111.205 162.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.81 -33.65 68.69 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.437 1.086 . . . . 0.0 111.641 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -67.66 -28.99 68.18 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 116.75 -1.595 . . . . 0.0 110.809 169.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.61 57.35 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.7 -1.2 . . . . 0.0 113.448 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.07 -37.46 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.032 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -73.91 -50.91 17.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.958 -173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.68 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 2.4 t -87.39 -45.07 10.88 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.658 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt 90.6 78.45 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.881 -159.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -66.37 133.94 51.52 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 112.337 -2.21 . . . . 0.0 108.867 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.34 -28.01 19.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.967 0.792 . . . . 0.0 110.112 161.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.4 pt? -140.5 145.08 36.4 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.397 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.499 HD13 ' SG ' ' A' ' 78' ' ' CYS . 52.6 mt -132.07 115.93 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.345 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.79 141.16 31.13 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 111.333 -2.667 . . . . 0.0 110.166 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.57 141.53 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.685 166.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.27 112.98 23.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.3 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -104.35 125.79 50.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 113.972 -1.467 . . . . 0.0 108.044 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.353 0.738 0 O-C-N 124.582 1.176 . . . . 0.0 110.047 -176.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 121.808 0.671 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.8 -30.98 66.1 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.406 -1.897 . . . . 0.0 111.751 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.51 -44.45 98.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.864 -165.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -77.65 -52.05 9.63 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.544 1.152 . . . . 0.0 112.101 164.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.6 p -66.66 -27.61 67.8 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -149.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.87 114.85 1.17 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 125.192 1.557 . . . . 0.0 112.528 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.29 36.19 18.29 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 112.215 -2.266 . . . . 0.0 112.346 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.47 -25.9 57.77 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.02 1.071 . . . . 0.0 111.777 156.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -66.26 -41.25 90.19 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 117.184 -1.806 . . . . 0.0 108.391 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.431 2.4 tm-20 -77.45 -26.19 51.26 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 174.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.33 17.2 ttpp -76.0 -28.82 57.94 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.024 1.453 . . . . 0.0 112.997 167.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.499 ' SG ' HD13 ' A' ' 58' ' ' ILE . 86.9 m -77.1 -38.04 53.11 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 125.275 1.61 . . . . 0.0 110.163 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.97 -45.04 91.51 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 110.492 -3.049 . . . . 0.0 110.017 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.349 1.6 pt-20 -73.28 -29.91 63.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 109.583 -3.462 . . . . 0.0 113.039 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -0.43 16.07 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 112.784 -2.007 . . . . 0.0 112.801 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.99 41.95 21.22 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 122.678 1.154 . . . . 0.0 110.307 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.4 mt -145.17 48.3 1.29 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.234 -2.483 . . . . 0.0 107.342 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.16 125.47 35.95 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.402 -2.181 . . . . 0.0 109.687 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.33 -29.9 2.57 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.41 HG21 ' CD2' ' A' ' 88' ' ' LEU . 1.6 mp -67.46 124.68 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 111.685 -2.257 . . . . 0.0 111.102 173.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -98.14 135.53 39.66 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 109.017 -3.72 . . . . 0.0 108.325 170.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.41 ' CD2' HG21 ' A' ' 86' ' ' ILE . 5.0 mt -110.02 148.29 31.95 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.278 1.513 . . . . 0.0 110.948 -172.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -107.69 145.43 33.42 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 109.924 -3.307 . . . . 0.0 106.851 168.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.12 123.71 34.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 113.122 -1.854 . . . . 0.0 107.353 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.15 22.27 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.657 -1.611 . . . . 0.0 111.5 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 113.06 -141.32 16.85 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 112.235 -1.983 . . . . 0.0 110.733 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -82.57 71.93 9.64 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.952 -1.624 . . . . 0.0 108.302 171.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -68.71 -35.78 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-N 110.254 -3.157 . . . . 0.0 111.254 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.346 0.423 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 171.063 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.334 1.6 m-90 . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.85 -40.5 84.79 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 120.278 1.135 . . . . 0.0 114.764 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -80.05 -36.67 35.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.635 -2.075 . . . . 0.0 111.949 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -76.25 -44.94 36.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.974 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.62 -27.91 61.53 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 114.049 -1.432 . . . . 0.0 111.155 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.26 -34.51 75.28 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 118.938 -1.105 . . . . 0.0 111.195 168.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -53.09 24.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -72.71 -45.63 57.75 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.906 -1.952 . . . . 0.0 112.088 -167.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.65 -28.83 68.05 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.25 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.38 84.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.257 0.973 . . . . 0.0 111.726 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 82.8 mmm -74.06 -35.98 64.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.583 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.12 -17.05 3.19 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 113.817 -1.538 . . . . 0.0 112.99 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -60.39 115.73 3.77 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.032 0.92 . . . . 0.0 109.598 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.99 -38.97 63.98 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 112.253 -2.248 . . . . 0.0 111.498 -165.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -133.83 139.13 46.06 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.195 -1.82 . . . . 0.0 109.484 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.3 t -123.22 113.8 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.313 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -90.77 142.45 27.74 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.829 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -63.66 -177.11 0.38 Allowed 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.08 1.854 . . . . 0.0 113.738 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.49 122.77 2.45 Favored 'Trans proline' 0 C--N 1.362 1.246 0 C-N-CA 121.866 1.711 . . . . 0.0 110.493 167.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.28 55.91 2.8 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.874 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.1 137.37 37.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.143 -2.028 . . . . 0.0 108.902 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.58 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.1 p -54.62 141.28 55.95 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 113.205 -1.816 . . . . 0.0 109.157 162.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.25 -9.82 17.67 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 122.686 0.835 . . . . 0.0 112.548 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.92 71.16 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.361 1.038 . . . . 0.0 111.275 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.58 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -71.14 -37.24 72.27 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.209 176.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 m -79.5 -32.11 42.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 126.38 2.3 . . . . 0.0 109.296 -170.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.21 -41.99 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 126.415 2.322 . . . . 0.0 110.135 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.99 63.82 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.129 -1.851 . . . . 0.0 110.523 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.91 -55.05 25.53 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.335 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.9 ptp -65.19 -29.34 70.15 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.85 -57.07 6.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 118.709 -1.197 . . . . 0.0 109.88 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.43 -35.18 69.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.901 -1.5 . . . . 0.0 114.545 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.29 -42.75 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.919 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.8 mt -99.79 23.91 9.07 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.322 1.013 . . . . 0.0 112.024 -166.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.67 52.64 6.37 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.223 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -148.68 160.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 112.726 -1.737 . . . . 0.0 106.743 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.548 0.901 0 O-C-N 124.719 1.262 . . . . 0.0 111.232 174.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -104.09 109.77 21.69 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 123.087 1.423 . . . . 0.0 109.449 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -90.74 129.51 36.82 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 109.986 -3.279 . . . . 0.0 106.369 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.83 137.9 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 C-N-CA 126.676 1.99 . . . . 0.0 106.017 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.299 16.7 t -130.26 116.57 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.902 0 CA-C-N 109.223 -3.626 . . . . 0.0 104.931 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.38 128.49 47.12 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 117.426 -1.71 . . . . 0.0 110.908 -176.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.48 146.15 16.1 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 110.474 -3.057 . . . . 0.0 112.273 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 t -97.35 120.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 C-N-CA 116.984 -1.886 . . . . 0.0 106.245 160.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -96.43 144.17 10.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 111.807 -2.451 . . . . 0.0 107.714 -165.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.061 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 -163.311 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m170 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 120.38 0.133 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -55.91 -41.5 74.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.976 1.423 . . . . 0.0 113.631 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.05 -39.07 61.2 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.238 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -31.15 72.25 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.506 -2.133 . . . . 0.0 110.423 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -80.06 -20.7 44.62 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 112.005 -2.361 . . . . 0.0 112.075 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 2.33 49.0 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.948 0.78 . . . . 0.0 110.524 -168.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.32 77.05 Favored Glycine 0 C--N 1.355 1.599 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.837 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -85.04 157.11 20.83 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.206 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -80.99 104.84 11.77 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 116.123 -2.231 . . . . 0.0 106.318 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.23 115.93 42.42 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 124.969 1.418 . . . . 0.0 111.988 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.97 110.8 22.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 111.294 -2.684 . . . . 0.0 106.677 159.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -93.43 105.18 17.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.421 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mt -68.87 -31.26 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.239 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.16 -163.29 50.5 Favored Glycine 0 C--N 1.356 1.64 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.023 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.92 170.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 112.783 -1.709 . . . . 0.0 108.959 174.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? 60.78 73.57 0.48 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -174.41 160.71 3.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 111.162 -2.745 . . . . 0.0 108.062 -167.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 m -153.14 173.41 15.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.916 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.31 -28.93 21.07 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -164.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.93 -39.04 73.75 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 124.878 1.361 . . . . 0.0 112.106 173.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.39 -33.33 58.87 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.173 -1.831 . . . . 0.0 112.414 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.1 OUTLIER -76.24 -35.22 59.09 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 123.508 1.623 . . . . 0.0 112.67 -177.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -49.94 -45.32 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-N 110.153 -3.203 . . . . 0.0 111.169 159.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -75.04 -28.96 60.65 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.764 1.29 . . . . 0.0 112.789 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.5 61.31 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.01 0.819 . . . . 0.0 110.536 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.27 65.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 117.289 -1.765 . . . . 0.0 113.101 165.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.46 -41.81 86.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.665 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -75.24 -50.31 16.54 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.805 -168.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -101.64 -24.91 14.04 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 125.725 1.891 . . . . 0.0 114.851 -172.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttp 87.18 71.35 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.819 1.949 . . . . 0.0 109.776 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.05 135.67 57.7 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 109.8 -3.364 . . . . 0.0 111.034 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.28 -28.56 18.7 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.3 -1.773 . . . . 0.0 108.858 159.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.267 2.6 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.964 1.364 . . . . 0.0 112.617 176.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.486 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 28.2 mt -125.75 131.03 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.388 -2.642 . . . . 0.0 107.785 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.85 139.85 46.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.379 -2.192 . . . . 0.0 109.684 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.05 121.79 34.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 111.752 -2.476 . . . . 0.0 106.824 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 t -115.04 127.96 55.96 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 113.901 -1.5 . . . . 0.0 108.675 -173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -127.69 137.02 52.36 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.801 -1.999 . . . . 0.0 109.984 -163.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.357 0.892 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.245 -160.285 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.541 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -79.85 -29.89 40.22 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.754 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.1 mt -91.36 -45.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.355 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.43 -56.71 4.23 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 118.289 -1.364 . . . . 0.0 113.526 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -78.39 -25.83 46.29 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 112.291 -2.231 . . . . 0.0 112.713 -156.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.12 124.5 21.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.619 -169.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.21 25.85 46.53 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 112.582 -2.099 . . . . 0.0 111.826 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.6 -25.8 57.3 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.414 0.714 . . . . 0.0 112.187 162.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 -64.82 -42.7 94.77 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 116.041 -2.264 . . . . 0.0 109.102 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.345 30.1 mt-10 -77.6 -26.57 50.77 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 118.341 2.719 . . . . 0.0 118.341 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.287 75.3 mttt -76.49 -29.26 56.76 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 125.959 2.037 . . . . 0.0 113.337 165.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.5 t -77.14 -33.48 56.66 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 123.201 1.477 . . . . 0.0 110.84 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -65.24 -42.81 92.98 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 110.749 -2.932 . . . . 0.0 109.21 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 1.6 pt-20 -73.0 -29.87 63.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 109.83 -3.35 . . . . 0.0 111.938 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.15 11.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.079 -2.328 . . . . 0.0 112.737 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 37.2 39.1 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.1 mt -142.24 48.72 1.56 Allowed 'General case' 0 C--N 1.347 0.46 0 CA-C-N 111.739 -2.231 . . . . 0.0 108.485 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 113.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.917 171.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.54 -27.58 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 111.753 -2.476 . . . . 0.0 108.433 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.91 124.92 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 111.839 -2.18 . . . . 0.0 109.948 167.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -87.85 134.02 33.78 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 110.648 -2.978 . . . . 0.0 107.67 162.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.486 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 17.5 mt -109.96 133.6 53.01 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.647 1.213 . . . . 0.0 111.132 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 110.762 -2.926 . . . . 0.0 106.18 171.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.11 123.65 34.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.16 152.16 20.29 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.501 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.38 -154.27 18.5 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 111.498 -2.351 . . . . 0.0 109.699 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -83.59 91.91 7.54 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 112.435 -1.883 . . . . 0.0 108.421 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 pt -93.73 -11.53 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 112.489 -2.142 . . . . 0.0 112.097 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.346 0.451 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.3 m-90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.25 -42.45 67.36 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 CA-C-N 120.831 1.333 . . . . 0.0 115.2 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.09 -38.34 31.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.672 -2.058 . . . . 0.0 112.102 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.72 -41.31 70.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.915 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -74.03 -31.95 63.13 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.225 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -58.83 -39.39 81.08 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.636 1.21 . . . . 0.0 111.005 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -76.62 -44.56 33.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.424 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.01 -42.9 56.47 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.571 1.17 . . . . 0.0 111.28 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -69.4 -28.99 66.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.023 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.95 61.62 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.447 1.092 . . . . 0.0 111.072 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -39.47 83.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.743 173.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.43 -48.57 0.26 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 113.493 -1.685 . . . . 0.0 112.033 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -48.75 141.4 7.37 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 125.126 1.133 . . . . 0.0 113.136 -160.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.04 -51.71 36.11 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.319 -2.219 . . . . 0.0 109.463 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -145.21 141.24 28.49 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.666 -2.061 . . . . 0.0 110.081 -169.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.31 113.91 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 112.634 -2.075 . . . . 0.0 109.729 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.48 143.4 28.08 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.671 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -54.53 176.19 0.12 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.097 2.531 . . . . 0.0 115.553 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.27 112.2 2.75 Favored 'Trans proline' 0 C--N 1.363 1.29 0 N-CA-C 108.983 -1.199 . . . . 0.0 108.983 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.89 74.58 0.78 Allowed Glycine 0 C--N 1.351 1.416 0 CA-C-N 112.984 -1.917 . . . . 0.0 111.063 -173.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.49 137.85 33.11 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.445 -1.878 . . . . 0.0 109.683 -178.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.566 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -51.45 157.13 1.82 Allowed Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.028 159.131 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -83.08 -15.47 7.93 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.154 1.236 . . . . 0.0 114.065 173.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.4 -29.88 67.72 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.625 1.203 . . . . 0.0 110.885 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.566 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.1 m -68.29 -39.04 82.21 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 113.467 -1.697 . . . . 0.0 112.47 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m -79.44 -37.65 36.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.318 2.261 . . . . 0.0 108.603 -168.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.8 mt -72.88 -40.91 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 111.632 -2.531 . . . . 0.0 110.499 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.84 63.72 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.984 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -70.42 -37.78 74.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 116.599 -2.04 . . . . 0.0 113.314 173.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 10.5 ptp -72.91 -28.9 62.73 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.41 1.005 . . . . 0.0 111.958 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.95 -54.6 31.94 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.427 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -70.68 -47.79 58.09 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.027 -1.897 . . . . 0.0 114.413 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.69 -38.17 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.461 1.101 . . . . 0.0 112.245 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -79.7 -13.5 59.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.523 1.139 . . . . 0.0 111.349 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.56 81.48 0.57 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.56 157.86 16.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-N 112.607 -1.797 . . . . 0.0 107.685 -170.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 112.461 -2.154 . . . . 0.0 110.243 -176.034 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' NZ ' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -78.86 109.72 13.39 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 118.073 -1.451 . . . . 0.0 108.864 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.405 ' HG1' ' NZ ' ' A' ' 3' ' ' LYS . 93.9 m -99.9 116.97 33.2 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 110.669 -2.969 . . . . 0.0 106.504 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.92 135.09 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 CA-C-N 112.714 -2.039 . . . . 0.0 105.655 166.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.298 1.3 t -130.13 116.86 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 109.163 -3.653 . . . . 0.0 103.62 -164.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.05 129.25 39.78 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.462 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.67 145.94 16.19 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 110.945 -2.843 . . . . 0.0 108.878 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.39 120.56 46.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 172.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.82 117.74 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.071 -170.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.163 0 CA-C-N 111.156 -2.747 . . . . 0.0 111.581 178.479 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.221 -0.426 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -69.32 -34.6 74.9 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 125.248 1.592 . . . . 0.0 111.77 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -79.02 -35.76 42.21 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.307 -1.77 . . . . 0.0 110.139 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -38.99 79.03 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.221 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -62.21 -20.54 64.29 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.034 -2.348 . . . . 0.0 112.958 170.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 7.0 33.04 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 121.39 0.614 . . . . 0.0 110.058 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.52 18.72 78.85 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.712 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.65 157.17 19.17 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 116.975 -1.89 . . . . 0.0 108.933 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.92 104.73 8.66 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 162.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.56 129.24 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.932 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.08 113.39 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 110.667 -2.969 . . . . 0.0 106.989 -168.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -85.75 102.93 14.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.293 -2.231 . . . . 0.0 106.863 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 pp -71.1 -28.47 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 111.007 -2.815 . . . . 0.0 110.523 -169.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.17 159.85 10.05 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.303 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.96 117.77 31.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.313 -1.943 . . . . 0.0 107.381 171.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 174.67 148.88 0.08 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.716 -2.038 . . . . 0.0 107.389 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -91.21 106.94 18.87 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.256 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t 178.17 117.54 0.04 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.82 166.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -48.01 -55.06 10.97 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.239 -1.8 . . . . 0.0 113.344 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.53 -17.81 60.63 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 124.253 0.97 . . . . 0.0 112.414 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.13 -37.54 33.34 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.896 0.747 . . . . 0.0 111.564 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -40.97 50.08 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 123.191 1.472 . . . . 0.0 111.616 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.71 -38.65 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 109.753 -3.385 . . . . 0.0 112.085 160.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -68.16 -28.76 67.57 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.146 0.904 . . . . 0.0 111.064 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.18 61.28 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 124.605 1.19 . . . . 0.0 113.262 168.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.74 -30.53 69.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 117.339 -1.744 . . . . 0.0 114.643 162.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.58 -40.36 71.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.705 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.05 -50.43 13.12 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 113.909 -1.496 . . . . 0.0 109.134 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -11.36 17.2 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 110.523 -3.035 . . . . 0.0 112.709 -162.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 79.45 61.74 0.02 OUTLIER 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.033 1.458 . . . . 0.0 110.842 164.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 140.04 57.18 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.255 -2.248 . . . . 0.0 112.068 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.63 -31.15 16.76 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.472 150.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.255 2.6 pt? -140.46 144.88 36.32 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 123.111 1.434 . . . . 0.0 112.301 -177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.1 mt -125.31 130.02 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 110.528 -3.033 . . . . 0.0 108.088 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.3 m -115.03 141.08 48.49 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 111.75 -2.477 . . . . 0.0 108.709 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.15 121.75 47.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 111.836 -2.438 . . . . 0.0 106.698 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 112.4 24.54 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -103.83 124.75 49.5 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.714 -1.584 . . . . 0.0 108.512 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 CA--C 1.54 0.569 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.106 -174.065 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.6 -44.47 42.86 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.56 -1.32 . . . . 0.0 109.765 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -44.77 32.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 CA-C-N 111.212 -2.722 . . . . 0.0 110.717 -167.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.72 -51.93 9.77 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.713 -2.039 . . . . 0.0 112.863 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.18 -44.42 53.52 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.534 1.147 . . . . 0.0 112.257 -166.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -75.29 135.39 40.92 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 118.891 -1.123 . . . . 0.0 110.831 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 17.75 64.08 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 112.166 -2.288 . . . . 0.0 111.599 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -75.52 -25.78 57.51 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.954 1.032 . . . . 0.0 111.002 157.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -46.87 86.61 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.873 171.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.442 28.5 mm-40 -77.38 -26.27 51.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 2.2 mmmp? -76.24 -29.56 57.56 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 125.427 1.704 . . . . 0.0 113.228 166.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 t -77.36 -32.12 54.82 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.38 1.562 . . . . 0.0 111.55 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.08 -44.26 80.52 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 110.481 -3.054 . . . . 0.0 109.52 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.1 -29.66 63.08 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 109.304 -3.589 . . . . 0.0 112.233 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.78 -0.08 14.67 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.641 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 38.98 34.33 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -142.14 35.54 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 111.787 -2.207 . . . . 0.0 109.711 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.9 122.07 24.32 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.758 -1.565 . . . . 0.0 110.142 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.16 -33.35 1.24 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.05 124.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 111.367 -2.417 . . . . 0.0 111.562 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -95.78 142.82 27.61 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 109.317 -3.583 . . . . 0.0 108.822 171.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.71 140.28 49.6 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 124.008 1.861 . . . . 0.0 112.188 -165.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 109.569 -3.469 . . . . 0.0 106.804 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.04 123.56 34.67 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-N 113.629 -1.623 . . . . 0.0 106.636 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.02 149.6 16.92 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 113.792 -1.549 . . . . 0.0 113.562 -166.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.42 -131.49 10.74 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 111.626 -2.287 . . . . 0.0 110.759 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -92.78 76.97 4.87 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.048 -1.076 . . . . 0.0 109.059 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.23 -11.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-N 113.023 -1.899 . . . . 0.0 112.215 -172.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.356 0.868 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 168.095 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.326 1.2 m-90 . . . . . 0 CA--C 1.56 1.361 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.19 -52.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 122.423 1.901 . . . . 0.0 112.955 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.42 -29.93 37.66 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.324 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.22 -36.44 43.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.117 -1.856 . . . . 0.0 110.79 -167.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.09 -46.2 44.43 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.345 172.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -49.85 -43.96 49.36 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.442 1.089 . . . . 0.0 112.431 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.63 -53.18 9.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.521 -172.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -75.14 -45.47 40.68 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.863 -170.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -60.23 -44.94 94.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.898 -1.955 . . . . 0.0 111.729 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.55 72.56 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.77 1.294 . . . . 0.0 112.172 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 33.8 mmt -75.96 -25.19 55.65 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.797 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.29 -6.38 0.23 Allowed Glycine 0 C--N 1.359 1.841 0 C-N-CA 117.936 -2.078 . . . . 0.0 115.507 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -74.38 138.38 43.36 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 118.511 -1.276 . . . . 0.0 110.049 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.59 -62.68 1.7 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-N 112.459 -2.155 . . . . 0.0 109.438 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -145.17 156.06 43.65 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.428 1.705 . . . . 0.0 109.746 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.8 113.94 45.63 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 111.41 -2.632 . . . . 0.0 107.257 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -76.98 142.43 69.1 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.164 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -54.91 -179.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.282 2.655 . . . . 0.0 113.797 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -83.58 114.92 2.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 N-CA-C 109.377 -1.047 . . . . 0.0 109.377 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.88 71.67 1.11 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.193 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.67 40.02 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.154 -2.023 . . . . 0.0 110.692 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -44.45 151.61 0.57 Allowed Pre-proline 0 CA--C 1.552 1.022 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.25 157.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.12 -10.02 10.36 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 121.31 1.34 . . . . 0.0 113.262 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.98 -29.77 66.94 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 124.342 1.026 . . . . 0.0 111.135 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.522 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -71.6 -32.97 68.6 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 125.277 1.61 . . . . 0.0 112.399 177.336 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.5 m -79.64 -36.39 37.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 126.324 2.265 . . . . 0.0 108.92 -173.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.4 mt -75.13 -37.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 111.925 -2.398 . . . . 0.0 110.087 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.9 64.13 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.302 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.19 -55.46 24.89 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 116.132 -2.227 . . . . 0.0 112.387 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 7.7 ptp -71.12 -28.94 64.66 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.693 0.621 . . . . 0.0 112.111 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -70.68 -57.33 4.8 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 117.419 -1.712 . . . . 0.0 109.484 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.96 -35.2 74.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.726 -170.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -78.73 -33.95 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.264 -1.335 . . . . 0.0 112.33 -174.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.6 mt -88.85 -3.66 58.69 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 124.237 0.961 . . . . 0.0 111.661 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.34 63.78 1.18 Allowed Glycine 0 C--N 1.355 1.602 0 O-C-N 124.213 0.946 . . . . 0.0 110.912 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.01 157.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.178 -2.011 . . . . 0.0 107.318 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 113.85 -1.523 . . . . 0.0 109.13 174.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -113.01 119.02 36.46 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.817 -1.992 . . . . 0.0 107.128 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -90.57 126.57 35.98 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.307 -2.679 . . . . 0.0 106.75 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.96 148.94 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 0 C-N-CA 127.312 2.245 . . . . 0.0 105.449 171.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.14 138.02 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 1 CA-C-N 107.893 -4.23 . . . . 0.0 103.971 -170.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.49 129.84 39.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 117.423 -1.711 . . . . 0.0 108.187 167.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.21 145.02 15.98 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.394 166.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.67 124.61 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 111.632 -2.284 . . . . 0.0 105.205 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.52 122.57 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 112.92 -1.946 . . . . 0.0 107.639 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.065 0 CA-C-N 110.347 -3.115 . . . . 0.0 110.859 175.097 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 -29.63 61.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.569 -1.65 . . . . 0.0 112.6 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -66.08 -41.71 90.34 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.265 0.978 . . . . 0.0 109.086 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.12 79.48 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 112.88 -1.964 . . . . 0.0 111.219 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -67.33 -20.71 65.63 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.07 -1.877 . . . . 0.0 112.933 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.46 7.68 18.97 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.991 0.807 . . . . 0.0 110.997 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.47 22.49 77.78 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.674 -170.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -86.16 151.89 23.29 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -177.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -78.26 104.4 8.82 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 t -127.57 117.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.699 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.9 110.96 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 111.302 -2.681 . . . . 0.0 106.752 158.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -85.88 97.67 10.35 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.65 19.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.142 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.46 -164.97 54.36 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.509 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.95 117.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 CA-C-N 113.144 -1.528 . . . . 0.0 109.0 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.07 83.74 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.898 -1.956 . . . . 0.0 107.991 -175.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 87.68 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.69 -1.596 . . . . 0.0 110.456 173.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 43' ' ' GLN . 40.1 t -117.35 -147.67 0.41 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.072 -1.877 . . . . 0.0 107.678 176.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.686 ' H ' ' HG ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -47.95 -50.89 25.71 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 124.315 1.01 . . . . 0.0 112.99 -176.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -52.28 -35.87 51.31 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.75 1.281 . . . . 0.0 113.348 -167.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -83.96 -31.55 25.5 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.918 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -38.11 56.28 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.079 1.419 . . . . 0.0 113.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.64 -38.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 110.304 -3.135 . . . . 0.0 111.319 159.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -68.86 -28.83 67.06 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.479 1.112 . . . . 0.0 111.425 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.54 63.66 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 124.277 0.986 . . . . 0.0 110.362 167.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.23 68.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 115.865 -2.334 . . . . 0.0 113.911 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.19 -39.77 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.758 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.06 -50.32 13.35 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.11 -1.404 . . . . 0.0 112.973 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.3 p -97.43 -29.21 13.63 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 125.338 1.649 . . . . 0.0 113.342 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 91.86 58.84 0.0 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 126.24 2.213 . . . . 0.0 109.326 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.39 122.97 22.93 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 109.97 -3.286 . . . . 0.0 110.68 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.48 -22.95 56.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.768 1.918 . . . . 0.0 110.5 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.49 144.61 36.1 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 123.015 1.388 . . . . 0.0 111.783 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.513 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 62.8 mt -121.29 124.59 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 110.329 -3.123 . . . . 0.0 106.44 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.11 114.66 25.62 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.107 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.8 121.66 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.989 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.51 143.16 31.01 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.797 -2.456 . . . . 0.0 107.354 173.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -131.51 121.05 23.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.11 1.506 . . . . 0.0 109.124 -174.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.351 0.665 0 CA-C-N 111.945 -2.389 . . . . 0.0 110.634 -169.596 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.781 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -61.91 -27.79 69.06 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.075 -1.062 . . . . 0.0 110.927 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -89.11 -44.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.932 -1.94 . . . . 0.0 111.546 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.91 -56.14 4.74 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 122.917 1.341 . . . . 0.0 112.698 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.79 -25.95 68.41 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 110.658 -2.974 . . . . 0.0 112.255 -162.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -71.06 111.59 6.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.524 -1.671 . . . . 0.0 107.9 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 18.5 80.15 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 112.521 -2.127 . . . . 0.0 114.829 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.7 -25.84 57.02 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 117.562 0.681 . . . . 0.0 111.881 153.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -62.74 -45.12 94.21 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 118.62 -1.232 . . . . 0.0 110.924 165.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.43 2.1 pt-20 -77.28 -25.98 51.93 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 117.576 2.435 . . . . 0.0 117.576 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 64.9 mmtt -76.5 -29.73 56.92 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 125.684 1.865 . . . . 0.0 113.403 166.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.2 p -77.25 -32.64 55.84 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.337 1.541 . . . . 0.0 111.579 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -78.05 -33.14 51.14 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 110.522 -3.035 . . . . 0.0 111.234 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.342 22.0 mm-40 -73.38 -29.63 62.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.114 -2.312 . . . . 0.0 112.855 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.71 3.13 6.85 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.423 -1.717 . . . . 0.0 112.612 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.01 34.44 47.33 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.3 mt -137.88 61.26 1.6 Allowed 'General case' 0 C--N 1.348 0.505 0 CA-C-N 111.813 -2.193 . . . . 0.0 108.173 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 123.01 33.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 112.757 -2.02 . . . . 0.0 108.754 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -25.0 2.52 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 124.72 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 111.78 -2.21 . . . . 0.0 111.123 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -93.7 150.06 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 108.551 -3.931 . . . . 0.0 107.842 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.513 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 73.4 mt -130.86 127.68 39.07 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 113.253 -1.794 . . . . 0.0 109.768 -168.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -107.82 143.12 36.83 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.817 -2.447 . . . . 0.0 106.911 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.29 123.66 33.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 O-C-N 124.053 0.846 . . . . 0.0 110.223 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.11 137.93 13.83 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.631 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 138.81 -153.31 22.6 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 113.07 -1.565 . . . . 0.0 110.562 171.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -81.5 -33.63 31.76 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.143 -1.529 . . . . 0.0 110.317 170.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . 0.266 5.2 pt 53.35 16.23 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 130.766 3.626 . . . . 0.0 113.344 170.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--N 1.351 0.648 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.476 -172.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.635 1.3 m-90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 -35.15 71.23 Favored 'Trans proline' 0 CA--C 1.55 1.311 0 CA-C-N 120.975 1.384 . . . . 0.0 114.919 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.31 -39.32 28.97 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.278 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.59 -40.4 71.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.266 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.07 -29.83 62.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.838 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -64.52 -36.78 85.32 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.358 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.4 -53.05 9.34 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.188 0.93 . . . . 0.0 111.032 -173.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.46 -53.32 36.75 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.153 -1.84 . . . . 0.0 110.725 -172.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.94 -28.77 67.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.267 -2.242 . . . . 0.0 112.633 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.22 91.27 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.07 0.856 . . . . 0.0 112.479 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -71.67 -18.42 62.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.437 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 137.02 -10.81 3.9 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.905 1.378 . . . . 0.0 113.865 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.05 136.8 18.36 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 121.614 0.721 . . . . 0.0 111.445 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.44 -63.13 1.41 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.152 -168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -145.24 156.1 43.64 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.215 1.572 . . . . 0.0 110.841 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -117.6 113.95 44.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 111.427 -2.624 . . . . 0.0 108.847 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.28 137.96 24.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.77 177.68 0.13 Allowed 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.825 2.35 . . . . 0.0 115.655 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -80.84 115.27 3.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 N-CA-C 109.114 -1.148 . . . . 0.0 109.114 167.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.44 60.21 3.57 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.104 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 137.59 37.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.542 -1.829 . . . . 0.0 108.787 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.558 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -54.55 152.54 12.13 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.882 162.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.6 -20.27 8.14 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 120.662 0.908 . . . . 0.0 113.545 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -29.97 70.73 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.843 -1.526 . . . . 0.0 110.461 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.558 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.4 m -65.86 -40.15 91.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.885 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -79.3 -38.63 34.87 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 125.594 1.808 . . . . 0.0 109.719 -164.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.12 -44.06 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 110.607 -2.997 . . . . 0.0 109.794 -173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.96 63.49 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.051 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' THR 0.269 11.3 t70 -71.42 -28.78 64.23 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.778 168.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' MET . . . . . 0.489 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -65.17 -43.26 92.28 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 121.416 0.626 . . . . 0.0 110.991 177.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.39 -55.08 17.52 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.243 -1.799 . . . . 0.0 109.114 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -53.4 -34.2 56.82 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.903 -1.953 . . . . 0.0 114.669 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.4 -47.02 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.483 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -90.47 17.06 7.8 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.291 0.994 . . . . 0.0 112.318 -172.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.73 57.72 4.82 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.761 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -147.75 159.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 112.395 -1.903 . . . . 0.0 106.853 -174.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 CA--C 1.545 0.762 0 O-C-N 125.34 1.65 . . . . 0.0 110.982 -179.362 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.502 ' HZ1' ' HZ1' ' A' ' 54' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.951 0.882 . . . . 0.0 108.749 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HZ2' HG22 ' A' ' 136' ' ' VAL . 86.6 mttt -107.41 109.88 21.71 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.266 -2.243 . . . . 0.0 107.137 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.559 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 30.6 m -89.76 131.02 35.93 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.057 173.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 122.95 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 CA-C-N 110.216 -3.175 . . . . 0.0 103.817 163.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.292 0.9 OUTLIER -100.05 141.03 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.867 0 CA-C-N 109.587 -3.46 . . . . 0.0 103.275 176.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -132.22 128.97 39.07 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 116.433 -2.107 . . . . 0.0 106.744 163.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.92 145.63 16.02 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 112.223 -2.262 . . . . 0.0 109.157 166.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.72 120.98 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.61 144.04 11.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 CA-C-N 112.688 -2.051 . . . . 0.0 108.779 -164.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.076 0 CA-C-N 110.19 -3.186 . . . . 0.0 105.844 -150.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.6 m80 . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 121.632 0.73 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -76.59 -26.76 55.37 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.953 -1.931 . . . . 0.0 111.945 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.85 -41.77 95.44 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.157 0.911 . . . . 0.0 110.588 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -37.67 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.215 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.3 -20.62 66.15 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 111.891 -2.413 . . . . 0.0 112.562 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.42 12.59 22.21 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.105 0.878 . . . . 0.0 110.17 -165.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.85 20.94 79.75 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.357 -1.747 . . . . 0.0 111.948 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.75 157.78 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 117.393 -1.723 . . . . 0.0 107.916 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -77.77 111.85 14.0 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 103.227 -2.879 . . . . 0.0 103.227 164.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.0 110.13 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 125.271 1.607 . . . . 0.0 108.926 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.81 110.6 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 110.761 -2.927 . . . . 0.0 105.103 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -96.67 97.87 9.71 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.402 -1.727 . . . . 0.0 107.033 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -36.94 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.179 -2.282 . . . . 0.0 109.22 -171.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -163.59 54.87 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 114.139 -1.392 . . . . 0.0 112.969 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.9 167.45 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 111.748 -2.226 . . . . 0.0 109.032 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 91.38 39.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.567 1.947 . . . . 0.0 110.164 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p 175.92 157.18 0.23 Allowed 'General case' 0 C--N 1.348 0.508 0 CA-C-N 112.675 -2.057 . . . . 0.0 108.395 -165.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -124.85 -172.38 2.56 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.307 -1.769 . . . . 0.0 109.967 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -58.29 -30.04 66.32 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -68.1 -29.03 67.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 124.57 1.168 . . . . 0.0 111.893 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.37 -33.58 58.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.342 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -34.43 58.69 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 123.282 1.515 . . . . 0.0 112.905 -176.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.78 -42.0 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 109.739 -3.391 . . . . 0.0 111.217 160.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -71.15 -28.83 64.55 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.703 1.252 . . . . 0.0 111.748 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.419 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -71.51 -28.66 64.05 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 116.801 -1.571 . . . . 0.0 111.705 166.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.45 62.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 118.798 -1.161 . . . . 0.0 113.327 169.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.07 -36.67 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -73.12 -50.77 20.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.554 -1.657 . . . . 0.0 111.76 -171.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.559 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -90.66 -36.77 14.18 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 110.632 -2.985 . . . . 0.0 112.383 -167.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HZ1' ' HZ1' ' A' ' 3' ' ' LYS . 7.1 mtmp? 83.09 79.66 0.03 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 111.536 -2.574 . . . . 0.0 109.671 -166.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -68.75 139.71 55.33 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.285 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -31.69 16.76 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.667 155.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pt? -140.5 145.04 36.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.156 1.455 . . . . 0.0 112.678 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.515 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 51.9 mt -124.92 127.36 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 110.492 -3.049 . . . . 0.0 106.401 177.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.26 141.09 46.39 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 113.336 -1.757 . . . . 0.0 109.687 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.56 121.49 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 111.626 -2.534 . . . . 0.0 105.689 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -115.18 114.83 25.78 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 124.979 1.425 . . . . 0.0 108.987 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.88 144.87 29.31 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.696 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.348 0.516 0 CA-C-N 111.7 -2.5 . . . . 0.0 110.914 -163.41 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.486 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -49.78 74.13 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.979 -2.11 . . . . 0.0 109.367 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.22 -45.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 111.902 -2.408 . . . . 0.0 112.022 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.36 -56.73 4.22 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -27.64 46.35 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 113.334 -1.757 . . . . 0.0 114.034 -154.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -71.55 123.31 22.17 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.606 1.191 . . . . 0.0 110.74 -167.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.08 27.79 24.94 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-N 113.376 -1.738 . . . . 0.0 111.971 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.33 -25.41 57.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 125.64 1.435 . . . . 0.0 110.411 154.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.84 -46.97 86.45 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 117.604 -1.638 . . . . 0.0 109.567 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.365 18.4 mp0 -77.41 -26.25 51.52 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -76.15 -29.34 57.73 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.747 1.904 . . . . 0.0 113.265 168.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.24 -35.03 55.74 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 123.364 1.554 . . . . 0.0 110.655 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.81 -42.81 97.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 110.235 -3.166 . . . . 0.0 109.613 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 0.1 OUTLIER -73.12 -29.93 63.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 110.188 -3.187 . . . . 0.0 111.841 -177.433 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 1.49 10.42 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 112.165 -2.288 . . . . 0.0 112.562 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.93 37.83 37.54 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 67.0 mt -143.84 48.4 1.41 Allowed 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.642 -2.279 . . . . 0.0 108.646 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.19 114.83 24.15 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.457 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 152.57 -28.11 0.85 Allowed Glycine 0 C--N 1.344 1.027 0 CA-C-N 111.94 -2.391 . . . . 0.0 108.291 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.83 124.89 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 111.583 -2.308 . . . . 0.0 109.837 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -87.87 144.4 26.6 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 110.853 -2.885 . . . . 0.0 108.604 159.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.515 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 29.8 mt -118.26 135.17 54.43 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.323 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -107.86 151.2 26.08 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 111.302 -2.681 . . . . 0.0 107.518 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.25 123.89 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 113.067 -1.878 . . . . 0.0 108.316 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.11 18.21 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 114.164 -1.38 . . . . 0.0 113.187 -166.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.49 -141.16 20.28 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 112.339 -1.931 . . . . 0.0 111.529 170.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -81.83 88.29 6.33 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 112.631 -1.784 . . . . 0.0 107.902 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -27.56 10.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.769 1.293 . . . . 0.0 110.641 -176.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 159.62 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 10.0 p90 . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.35 -21.56 5.3 Favored 'Trans proline' 0 CA--C 1.557 1.645 0 C-N-CA 121.487 1.458 . . . . 0.0 112.769 125.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.14 -52.37 7.85 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.023 -163.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.41 -37.72 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.131 -1.849 . . . . 0.0 110.764 -169.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.35 -47.73 82.94 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.844 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -57.09 -35.01 68.89 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.527 1.142 . . . . 0.0 112.111 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -76.45 -52.16 10.38 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.166 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.66 -44.01 83.03 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.513 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -73.94 -28.98 61.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.442 -2.617 . . . . 0.0 111.937 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.05 74.79 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.492 1.12 . . . . 0.0 111.352 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mmt -74.7 -32.93 62.32 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.9 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.61 -50.64 0.11 Allowed Glycine 0 C--N 1.355 1.616 0 C-N-CA 117.374 -2.346 . . . . 0.0 113.384 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -48.84 146.35 3.29 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.394 -1.403 . . . . 0.0 113.774 -165.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.89 -62.94 1.42 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 111.619 -2.537 . . . . 0.0 109.805 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -145.26 156.18 43.68 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.337 -172.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.03 125.82 72.74 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.845 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -96.04 116.96 66.53 Favored Pre-proline 0 C--N 1.357 0.913 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.599 166.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.76 172.51 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 121.137 1.225 . . . . 0.0 114.513 167.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.86 118.49 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 120.861 1.041 . . . . 0.0 110.691 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.25 7.16 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.389 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 m -86.98 137.19 32.56 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.353 1.073 . . . . 0.0 109.288 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.6 p -58.17 167.2 1.7 Allowed Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.221 169.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.17 -15.81 7.62 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 120.994 1.129 . . . . 0.0 114.195 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -72.71 -29.67 63.56 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.035 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.591 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -66.76 -33.36 75.46 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.169 -1.832 . . . . 0.0 112.27 173.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.34 -33.11 43.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 126.507 2.379 . . . . 0.0 108.542 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.0 mt -75.17 -39.35 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 111.807 -2.451 . . . . 0.0 110.518 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.04 63.94 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.458 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -63.26 -55.39 25.27 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 116.568 -2.053 . . . . 0.0 112.47 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptp -67.49 -34.83 77.95 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.015 0.822 . . . . 0.0 111.786 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.97 -55.79 12.97 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.024 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.56 -37.1 84.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.4 p -78.65 -36.05 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.574 1.171 . . . . 0.0 112.453 -171.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.0 mt -85.4 -15.88 41.65 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.424 1.077 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.0 83.59 0.88 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.437 HG22 ' HZ2' ' A' ' 4' ' ' LYS . 21.7 t -136.31 3.56 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 112.256 -1.972 . . . . 0.0 112.633 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 112.171 -2.286 . . . . 0.0 109.409 -177.223 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -116.88 109.92 17.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 108.431 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -89.97 134.25 34.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 111.145 -2.752 . . . . 0.0 107.755 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.49 139.5 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 C-N-CA 127.464 2.306 . . . . 0.0 105.05 173.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.0 OUTLIER -117.45 134.97 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-N 108.949 -3.75 . . . . 0.0 104.945 -177.169 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.6 128.56 37.42 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 116.604 -2.038 . . . . 0.0 107.243 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.52 146.13 16.09 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 112.743 -2.026 . . . . 0.0 110.926 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.11 120.37 46.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 116.069 -2.253 . . . . 0.0 106.192 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -104.64 136.42 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 110.225 -3.17 . . . . 0.0 108.712 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.399 0 CA-C-N 111.664 -2.516 . . . . 0.0 109.512 -169.107 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 121.527 0.68 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.308 -2.224 . . . . 0.0 112.039 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -70.91 -33.41 70.51 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -36.98 78.81 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.196 -1.82 . . . . 0.0 109.395 176.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.44 -20.59 64.65 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.017 -1.902 . . . . 0.0 112.825 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.23 2.67 56.19 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 123.877 0.736 . . . . 0.0 110.019 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.77 19.93 79.75 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.635 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.56 142.99 27.43 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.337 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.98 104.46 8.56 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.09 132.93 69.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.929 -165.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.65 115.57 25.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 111.683 -2.508 . . . . 0.0 107.799 -162.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.98 97.93 10.53 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.324 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.04 -25.77 18.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.383 -2.189 . . . . 0.0 111.807 -169.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.42 139.46 2.98 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 113.987 -1.46 . . . . 0.0 109.969 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.77 127.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 168.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.05 101.98 0.05 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.227 -160.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -164.21 177.03 8.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.915 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 m -158.94 172.28 18.5 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.11 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -48.08 -28.79 3.07 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 112.79 -2.004 . . . . 0.0 115.84 -161.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.12 -36.55 82.16 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.943 0.777 . . . . 0.0 111.843 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.95 -41.38 78.11 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 113.677 -1.601 . . . . 0.0 112.078 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -76.23 -33.48 59.22 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-O 122.388 1.089 . . . . 0.0 113.439 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.86 -49.43 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 110.904 -2.862 . . . . 0.0 110.234 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.337 1.648 . . . . 0.0 111.919 -166.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.89 61.42 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 124.991 1.432 . . . . 0.0 110.287 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.36 64.33 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 116.791 -1.964 . . . . 0.0 112.963 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.05 -41.66 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.918 171.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -50.51 13.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.965 -167.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -97.95 -25.7 14.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 125.664 1.853 . . . . 0.0 113.4 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 97.89 62.3 0.0 OUTLIER 'General case' 0 C--N 1.343 0.321 0 O-C-N 126.334 2.271 . . . . 0.0 110.547 164.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.97 125.92 20.58 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 111.866 -2.424 . . . . 0.0 111.951 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.17 -28.96 18.57 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 112.139 -2.301 . . . . 0.0 108.181 157.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pt? -140.53 145.07 36.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.322 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 42.8 mt -126.19 123.15 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.275 -2.693 . . . . 0.0 106.793 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.64 140.06 47.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.777 -2.011 . . . . 0.0 108.526 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 121.97 63.11 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 111.659 -2.519 . . . . 0.0 107.344 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.5 112.59 24.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.405 -2.18 . . . . 0.0 105.77 174.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -135.25 109.85 8.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.261 -2.245 . . . . 0.0 106.997 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.347 0.478 0 CA-C-N 113.061 -1.881 . . . . 0.0 111.466 -142.49 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.358 0 CA-C-O 122.039 0.799 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.16 -34.8 37.31 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 112.509 -1.846 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.93 -44.2 92.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.748 -2.024 . . . . 0.0 110.887 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.33 -41.97 38.45 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.597 1.186 . . . . 0.0 113.376 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.74 -44.12 51.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.971 -165.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.54 133.69 55.47 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.97 1.419 . . . . 0.0 111.801 -172.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.21 12.09 71.27 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 112.505 -2.134 . . . . 0.0 112.765 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.4 -25.64 57.75 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.428 0.722 . . . . 0.0 110.266 154.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -54.07 -57.27 11.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.579 1.175 . . . . 0.0 109.814 168.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.471 7.3 tp10 -77.48 -25.9 50.83 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 93.0 mttt -76.28 -29.41 57.4 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.033 1.458 . . . . 0.0 113.605 168.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.61 -42.66 51.19 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 123.999 1.857 . . . . 0.0 109.788 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.264 14.1 m-20 -73.59 -26.9 61.02 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 109.245 -3.616 . . . . 0.0 111.658 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.318 25.7 mm-40 -73.67 -33.62 64.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 113.201 -1.818 . . . . 0.0 113.561 167.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.86 6.38 3.34 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.326 -1.761 . . . . 0.0 113.144 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.08 33.32 36.69 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.71 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -135.86 62.62 1.62 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-N 112.227 -1.987 . . . . 0.0 107.202 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 115.94 28.19 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.675 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.27 -24.4 1.72 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.487 -171.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.92 124.73 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 111.632 -2.284 . . . . 0.0 109.004 166.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 136.42 33.14 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 110.601 -3.0 . . . . 0.0 107.805 161.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.535 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -110.35 134.61 52.13 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.966 1.365 . . . . 0.0 111.12 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.89 142.91 37.25 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 110.412 -3.086 . . . . 0.0 108.735 166.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.33 123.73 33.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 112.509 -2.132 . . . . 0.0 108.052 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.95 151.99 23.85 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.397 -172.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.61 -147.35 18.27 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.135 -2.032 . . . . 0.0 109.205 176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -77.92 87.93 4.11 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 123.053 1.406 . . . . 0.0 107.942 166.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.51 -34.22 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 110.462 -3.063 . . . . 0.0 111.938 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 C--N 1.352 0.683 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -175.859 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.58 3.0 m-90 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 118.11 2.633 . . . . 0.0 118.11 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.08 -35.23 25.44 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 N-CA-C 115.581 1.339 . . . . 0.0 115.581 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.25 -48.51 12.96 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.45 -1.705 . . . . 0.0 111.957 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.97 -59.14 4.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.453 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.57 -27.75 66.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.921 -2.399 . . . . 0.0 111.884 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.06 -40.77 64.23 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 118.467 -1.293 . . . . 0.0 112.023 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -75.31 -53.06 9.39 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.507 1.13 . . . . 0.0 111.886 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -64.61 -48.31 75.38 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.88 -173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -68.92 -28.55 66.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.406 -2.179 . . . . 0.0 112.076 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.15 70.83 Favored 'General case' 0 C--N 1.357 0.935 0 O-C-N 124.002 0.814 . . . . 0.0 112.023 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.5 mmt -67.9 -46.89 70.34 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.362 1.039 . . . . 0.0 109.709 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.63 -2.27 0.77 Allowed Glycine 0 C--N 1.353 1.517 0 CA-C-N 113.183 -1.826 . . . . 0.0 113.024 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -52.12 146.24 9.22 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-O 121.945 0.878 . . . . 0.0 111.34 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.86 -74.78 0.12 Allowed 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.428 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -145.02 156.33 43.87 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 124.21 0.944 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.85 138.76 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.623 -174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -104.94 147.34 34.32 Favored Pre-proline 0 C--N 1.36 1.06 0 O-C-N 124.873 1.358 . . . . 0.0 111.621 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -63.89 -179.93 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 121.978 1.786 . . . . 0.0 113.326 171.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.92 121.9 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.565 1.51 . . . . 0.0 110.501 166.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.5 63.57 1.84 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.398 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.44 40.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.406 -2.397 . . . . 0.0 108.886 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.536 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.2 p -49.97 157.2 1.13 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.697 163.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.77 -31.84 3.83 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 O-C-N 122.701 0.842 . . . . 0.0 110.591 172.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -30.71 51.88 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.183 1.552 . . . . 0.0 113.56 -170.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.536 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -69.01 -38.61 79.35 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.093 -178.181 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.4 m -79.55 -31.34 41.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 O-C-N 126.796 2.56 . . . . 0.0 110.112 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -40.78 42.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 113.016 -1.902 . . . . 0.0 110.682 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.95 64.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.907 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.73 -55.51 29.48 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 115.751 -2.379 . . . . 0.0 113.396 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.3 ptp -73.06 -28.9 62.58 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -69.91 -53.07 19.61 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 125.124 1.515 . . . . 0.0 109.194 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.001 -1.454 . . . . 0.0 114.085 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.84 -47.06 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.738 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.9 mt -90.17 3.8 52.38 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.477 1.11 . . . . 0.0 112.649 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.2 72.19 0.88 Allowed Glycine 0 C--N 1.354 1.535 0 O-C-N 124.024 0.827 . . . . 0.0 111.432 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -148.38 158.62 7.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.009 -172.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.994 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -117.05 120.78 39.4 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.03 171.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -93.61 131.51 38.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 110.695 -2.957 . . . . 0.0 107.415 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.02 122.8 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.3 2.1 t -100.01 123.94 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 1 CA-C-N 108.0 -4.182 . . . . 0.0 104.204 -175.882 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.18 128.91 39.01 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.652 -2.019 . . . . 0.0 108.129 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.11 146.02 16.13 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 111.143 -2.753 . . . . 0.0 108.858 170.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -97.18 120.44 46.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 116.74 -1.984 . . . . 0.0 106.775 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -107.63 144.17 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 110.377 -3.101 . . . . 0.0 109.139 -166.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.338 0.694 0 CA-C-N 110.843 -2.889 . . . . 0.0 106.742 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -75.32 -30.66 60.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 125.584 1.803 . . . . 0.0 112.338 -171.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -66.78 -39.8 87.95 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.908 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -34.74 78.56 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.906 -1.952 . . . . 0.0 110.368 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.84 -20.71 63.41 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.917 -1.947 . . . . 0.0 112.563 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.07 12.19 14.15 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 124.066 0.854 . . . . 0.0 110.458 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.19 20.56 76.66 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.384 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.427 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -91.29 155.01 18.85 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -174.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.63 104.75 12.26 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 116.847 -1.941 . . . . 0.0 106.038 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 14.0 t -127.16 116.18 43.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.667 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.94 115.73 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 109.989 -3.278 . . . . 0.0 107.26 167.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -85.86 97.9 10.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.297 -2.229 . . . . 0.0 105.742 166.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.68 -18.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 112.685 -2.052 . . . . 0.0 110.855 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.95 -174.91 30.63 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.922 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.93 132.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.613 -1.793 . . . . 0.0 109.562 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.51 -139.23 0.07 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-N 111.283 -2.69 . . . . 0.0 110.174 163.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.477 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 59.8 p -166.6 15.97 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.565 1.166 . . . . 0.0 112.219 -168.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 t -159.67 152.53 21.66 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 125.06 2.362 . . . . 0.0 112.867 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.8 -28.85 66.36 Favored 'General case' 0 C--O 1.217 -0.625 1 CA-C-N 107.985 -4.188 . . . . 0.0 111.881 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.55 -37.95 58.8 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.374 1.046 . . . . 0.0 112.925 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -88.93 -34.59 16.86 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.406 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -38.21 56.63 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.325 1.059 . . . . 0.0 111.398 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.87 -32.76 53.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 CA-C-N 111.701 -2.5 . . . . 0.0 110.612 165.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -61.77 -36.73 81.91 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 118.571 -1.252 . . . . 0.0 110.881 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.58 62.64 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 112.095 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.21 66.23 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 115.598 -2.441 . . . . 0.0 113.398 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.58 -39.02 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.329 173.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -50.47 24.52 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.709 1.256 . . . . 0.0 112.826 -171.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 p -101.49 -28.98 12.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 125.569 1.793 . . . . 0.0 114.153 -171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 89.48 72.67 0.01 OUTLIER 'General case' 0 C--N 1.342 0.264 0 O-C-N 125.988 2.055 . . . . 0.0 109.809 173.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.77 133.24 54.03 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 109.988 -3.278 . . . . 0.0 111.237 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.22 -31.65 16.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.097 162.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.23 144.86 36.74 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.114 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 128.07 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 111.387 -2.642 . . . . 0.0 106.996 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 56.2 m -115.0 136.42 53.14 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 111.148 -2.751 . . . . 0.0 109.299 -172.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.25 121.8 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 110.669 -2.968 . . . . 0.0 106.298 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -109.09 115.06 29.32 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.618 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 94' ' ' ILE . 27.1 m -100.72 117.09 34.12 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.939 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 CA--C 1.54 0.582 0 CA-C-N 112.097 -2.319 . . . . 0.0 108.682 163.206 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.07 -36.17 35.96 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.874 -1.163 . . . . 0.0 111.533 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.65 -44.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.362 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.26 -31.97 55.29 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.963 -1.471 . . . . 0.0 112.984 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.9 p -78.18 -26.69 47.73 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.997 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -75.78 125.74 29.66 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.539 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.63 20.39 56.39 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.876 -1.965 . . . . 0.0 112.666 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.7 -25.84 57.05 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 124.48 0.753 . . . . 0.0 112.032 163.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -54.49 46.36 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.36 169.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.409 31.6 tt0 -77.51 -26.25 51.0 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 118.717 2.858 . . . . 0.0 118.717 -176.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.313 39.5 mttp -76.22 -29.14 57.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.368 1.667 . . . . 0.0 112.659 165.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.9 -39.74 63.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 123.959 1.837 . . . . 0.0 109.925 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.65 -37.44 87.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 109.789 -3.368 . . . . 0.0 110.911 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.293 3.5 pt-20 -73.2 -32.06 64.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.205 -2.725 . . . . 0.0 112.421 178.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 3.79 6.27 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 111.908 -2.405 . . . . 0.0 112.819 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.21 45.72 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.653 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.8 mt -133.63 69.66 1.47 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 112.043 -2.078 . . . . 0.0 107.139 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -98.92 117.24 32.98 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.356 -2.202 . . . . 0.0 108.008 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.16 -24.88 2.22 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 108.159 -1.977 . . . . 0.0 108.159 -172.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -65.01 124.72 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 111.635 -2.283 . . . . 0.0 109.188 166.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -110.82 138.51 47.13 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 110.566 -3.015 . . . . 0.0 108.027 168.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -109.82 133.64 52.93 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-O 124.17 1.938 . . . . 0.0 111.277 -167.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -107.87 129.93 55.04 Favored 'General case' 0 N--CA 1.45 -0.461 1 CA-C-N 108.076 -4.147 . . . . 0.0 106.84 171.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 123.8 34.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.094 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.27 152.01 20.48 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.838 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 118.75 -152.08 17.5 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.952 -2.124 . . . . 0.0 110.605 170.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.15 83.7 6.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 112.718 -1.741 . . . . 0.0 108.057 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 4.6 pt -94.44 -3.14 10.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.954 -1.93 . . . . 0.0 113.65 -162.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.352 0.705 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -176.668 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.675 1.2 m-90 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.29 -33.9 97.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 121.231 1.475 . . . . 0.0 114.136 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -80.21 -37.78 32.47 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.324 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.44 -43.31 56.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.01 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.01 -27.93 61.19 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.393 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -57.58 -48.15 80.16 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.371 1.044 . . . . 0.0 111.176 172.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -74.21 -53.14 10.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.661 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -61.04 -49.5 77.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.737 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.46 -28.94 65.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.297 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.1 -31.76 72.45 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.453 1.096 . . . . 0.0 111.73 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.0 mmt -78.03 -21.6 50.48 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 124.599 1.187 . . . . 0.0 111.348 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.3 -15.77 0.87 Allowed Glycine 0 C--N 1.356 1.681 0 C-N-CA 119.305 -1.426 . . . . 0.0 114.338 165.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -59.03 132.03 52.8 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.716 1.246 . . . . 0.0 111.799 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -71.61 -47.41 54.81 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 111.672 -2.513 . . . . 0.0 109.251 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -145.03 137.76 26.27 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.218 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.2 t -123.27 113.7 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 112.131 -2.304 . . . . 0.0 108.628 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -86.24 146.04 41.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.544 -1.207 . . . . 0.0 112.105 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.44 179.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 123.562 2.841 . . . . 0.0 116.872 -175.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.4 113.15 1.8 Allowed 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 121.7 1.6 . . . . 0.0 112.57 170.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.89 81.37 0.08 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.159 -1.837 . . . . 0.0 112.659 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.05 137.47 40.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.268 -1.466 . . . . 0.0 110.868 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.599 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.8 OUTLIER -48.67 161.03 0.42 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 111.66 -2.518 . . . . 0.0 111.356 162.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.07 -19.55 5.64 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.26 1.307 . . . . 0.0 113.916 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.03 -29.78 62.09 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.132 -171.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.599 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.7 m -62.88 -38.49 91.09 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.278 174.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 m -79.61 -31.63 41.72 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.706 2.504 . . . . 0.0 109.818 -170.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.27 -43.59 43.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.153 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.39 -30.87 63.56 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.304 29.5 t70 -69.76 -28.67 65.96 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 126.146 2.154 . . . . 0.0 112.259 168.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' MET . . . . . 0.464 ' SD ' ' C ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -72.22 -36.95 69.29 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.063 173.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -65.58 -50.29 65.68 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.962 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.419 ' CG ' ' H ' ' A' ' 133' ' ' VAL . 8.2 pt-20 -59.5 -57.02 14.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.65 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.419 ' H ' ' CG ' ' A' ' 132' ' ' GLU . 20.9 t -56.7 -47.21 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.867 -172.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . 0.452 HD12 ' SD ' ' A' ' 130' ' ' MET . 63.6 mt -89.36 10.81 21.06 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.546 1.154 . . . . 0.0 111.685 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.45 68.54 1.61 Allowed Glycine 0 C--N 1.357 1.706 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.854 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -145.32 3.13 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.949 -1.625 . . . . 0.0 113.793 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.912 -170.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 122.092 0.949 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 109.97 21.86 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 111.957 -2.383 . . . . 0.0 106.906 167.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.568 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 98.7 m -89.16 134.3 34.07 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.973 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.93 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.93 -3.305 . . . . 0.0 103.857 162.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.03 143.25 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 CA-C-N 109.862 -3.335 . . . . 0.0 105.136 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.35 128.71 38.25 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.283 -1.767 . . . . 0.0 107.597 164.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 145.72 16.07 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.538 -2.574 . . . . 0.0 109.203 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -97.59 120.37 46.84 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 117.522 -1.671 . . . . 0.0 107.28 170.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tt -99.05 141.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 112.166 -2.288 . . . . 0.0 108.696 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.402 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . . . . . . 0 CA--C 1.533 1.188 0 CA-C-N 111.208 -2.724 . . . . 0.0 108.314 -160.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 CA--C 1.537 0.442 0 CA-C-O 122.25 1.024 . . . . 0.0 112.768 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -78.22 -26.75 47.52 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 111.864 -2.426 . . . . 0.0 111.736 -172.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -70.22 -36.89 74.85 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.032 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -35.87 79.35 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.421 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.35 -20.68 66.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.763 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.09 8.68 44.41 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 123.943 0.777 . . . . 0.0 110.145 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.03 79.67 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 113.818 -1.537 . . . . 0.0 112.148 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.39 139.72 30.74 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -77.99 104.87 8.82 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.92 108.74 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.756 -1.565 . . . . 0.0 107.992 -165.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.87 120.72 53.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-N 110.449 -3.069 . . . . 0.0 107.662 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.81 100.08 11.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 112.897 -1.956 . . . . 0.0 106.594 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.78 -29.39 33.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.86 -166.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.42 171.88 13.13 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.944 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.38 125.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 111.637 -2.282 . . . . 0.0 107.799 167.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 tp -163.65 145.4 9.35 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 113.868 -1.515 . . . . 0.0 108.919 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 97.5 p -66.9 0.66 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.737 -2.483 . . . . 0.0 114.476 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.52 ' HG ' ' H ' ' A' ' 44' ' ' GLU . 40.3 t -150.45 148.13 28.38 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.922 3.248 . . . . 0.0 115.463 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -50.87 -28.8 10.32 Favored 'General case' 0 C--O 1.214 -0.794 1 CA-C-N 106.154 -5.021 . . . . 0.0 111.492 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.52 ' H ' ' HG ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -51.62 -37.59 50.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.98 -178.658 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -83.44 -29.12 28.32 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.728 1.267 . . . . 0.0 111.755 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.02 -41.19 51.75 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -32.73 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.808 168.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -63.78 -28.57 69.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 117.125 -1.83 . . . . 0.0 111.882 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -70.18 -28.67 65.51 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.834 165.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.7 -30.46 62.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.26 -33.42 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -75.29 -50.82 14.87 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.643 -1.617 . . . . 0.0 112.071 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.568 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -87.38 -37.67 16.86 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 110.91 -2.859 . . . . 0.0 111.82 -167.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 53' ' ' THR . 53.4 mttp 82.88 79.92 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 111.734 -2.485 . . . . 0.0 110.177 -168.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -77.37 141.6 39.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 112.081 -2.327 . . . . 0.0 111.996 -176.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.51 -31.3 16.81 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.012 -1.903 . . . . 0.0 110.095 154.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.6 pt? -140.44 145.1 36.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 122.883 1.325 . . . . 0.0 112.558 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.407 ' HB ' HD23 ' A' ' 88' ' ' LEU . 60.1 mt -124.48 130.61 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 111.087 -2.778 . . . . 0.0 107.012 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.53 141.11 48.15 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.245 -1.798 . . . . 0.0 110.356 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.67 126.58 65.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 CA-C-N 111.356 -2.656 . . . . 0.0 107.296 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 112.93 23.95 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.462 -1.699 . . . . 0.0 108.885 -175.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -101.38 121.41 41.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.749 -2.023 . . . . 0.0 108.963 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 112.324 -2.216 . . . . 0.0 108.041 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 114.496 0.558 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.18 -33.89 68.02 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 122.911 1.339 . . . . 0.0 110.017 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.43 -44.04 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 111.156 -2.747 . . . . 0.0 110.556 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.85 -56.05 5.04 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.978 -1.465 . . . . 0.0 112.533 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.5 p -78.22 -26.7 47.53 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 112.276 -2.238 . . . . 0.0 114.236 -159.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.42 127.99 34.96 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.026 0.917 . . . . 0.0 111.104 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.38 14.51 27.82 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.63 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -31.27 59.59 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.577 0.81 . . . . 0.0 111.876 159.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -40.79 98.7 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 115.877 -2.329 . . . . 0.0 109.822 173.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.36 20.0 tp10 -77.79 -26.77 49.92 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -76.45 -29.94 57.15 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 124.899 1.375 . . . . 0.0 112.822 165.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.5 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 14.0 t -77.58 -29.02 51.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 123.628 1.68 . . . . 0.0 112.297 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.02 -42.95 62.67 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 110.986 -2.824 . . . . 0.0 109.235 172.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 34.8 mt-10 -73.24 -29.57 62.86 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 109.58 -3.464 . . . . 0.0 113.289 -176.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.7 -2.95 25.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 113.085 -1.871 . . . . 0.0 112.663 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 21.78 75.66 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.467 -171.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB3' ' SG ' ' A' ' 78' ' ' CYS . 35.8 mt -108.53 23.33 14.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.724 -1.738 . . . . 0.0 109.875 -175.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.7 114.44 9.79 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 122.466 1.127 . . . . 0.0 110.407 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.6 -30.47 0.76 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 111.887 -2.415 . . . . 0.0 107.925 -172.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.5 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.6 mp -64.95 129.7 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 111.46 -2.37 . . . . 0.0 110.25 167.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -94.02 144.34 25.55 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 110.346 -3.115 . . . . 0.0 109.159 161.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 58' ' ' ILE . 19.9 mt -115.27 135.22 54.39 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 122.88 1.324 . . . . 0.0 112.249 -172.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -107.93 146.29 32.6 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 110.97 -2.832 . . . . 0.0 108.165 166.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.47 123.97 33.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.839 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.7 152.07 18.78 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 124.153 0.908 . . . . 0.0 112.425 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.48 17.01 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 112.267 -1.967 . . . . 0.0 111.031 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -89.49 84.73 6.41 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.054 -1.573 . . . . 0.0 108.637 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.1 pt -105.34 -26.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.941 -167.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.348 0.542 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.278 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.5 m-90 . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 121.005 3.705 . . . . 0.0 121.005 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 CA-C-N 120.559 1.235 . . . . 0.0 114.589 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.17 -36.88 34.39 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.959 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.86 -41.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 124.021 0.826 . . . . 0.0 111.04 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.02 -28.16 61.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.122 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.34 -34.98 78.89 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 118.856 -1.138 . . . . 0.0 111.59 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.81 -53.11 12.39 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.637 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -75.09 -28.96 60.49 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.785 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -81.03 -31.97 34.31 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.837 1.335 . . . . 0.0 111.421 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.83 -28.01 69.26 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.729 1.268 . . . . 0.0 111.126 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.6 mmt -80.29 -44.42 19.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.374 -1.739 . . . . 0.0 110.391 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 153.88 -22.96 0.7 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 119.759 -1.21 . . . . 0.0 114.904 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -69.53 115.94 9.36 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 121.393 0.616 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -53.43 -47.26 69.81 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.371 -171.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.27 156.08 43.61 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.497 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.36 131.8 70.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 112.115 -2.311 . . . . 0.0 109.527 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.84 137.57 19.83 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 124.948 1.405 . . . . 0.0 109.847 161.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -64.08 -178.11 0.56 Allowed 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 121.861 1.707 . . . . 0.0 113.314 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.57 123.3 2.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.656 1.57 . . . . 0.0 108.929 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.74 47.86 3.08 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.825 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.5 m -102.04 137.4 40.37 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.1 -1.55 . . . . 0.0 108.782 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.584 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.3 p -56.3 162.59 3.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 O-C-N 125.353 1.658 . . . . 0.0 110.262 163.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.07 -14.62 8.43 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.148 1.232 . . . . 0.0 114.018 170.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.96 -29.73 65.81 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.746 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.584 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -67.04 -36.07 81.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 112.944 -1.935 . . . . 0.0 112.437 175.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.2 m -79.45 -33.31 42.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.218 2.199 . . . . 0.0 108.775 -171.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.96 -41.16 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 112.013 -2.358 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.95 63.87 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 125.301 1.626 . . . . 0.0 110.427 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -62.47 -55.16 30.25 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.337 -2.21 . . . . 0.0 112.013 171.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.1 ptp -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.49 -57.1 10.15 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.077 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -63.49 -33.74 76.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.295 -1.775 . . . . 0.0 113.997 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.2 t -71.15 -43.03 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.848 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.18 3.52 23.37 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.329 1.018 . . . . 0.0 111.791 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.61 53.9 4.16 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.036 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.0 160.71 23.19 Favored 'Isoleucine or valine' 0 C--N 1.349 0.568 0 CA-C-N 112.497 -1.852 . . . . 0.0 106.477 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.527 178.036 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.98 109.79 20.56 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.563 -1.653 . . . . 0.0 107.092 167.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.648 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 78.9 m -95.31 133.14 39.55 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.215 166.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.45 129.8 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.947 0 CA-C-N 109.744 -3.389 . . . . 0.0 104.39 162.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.252 1.1 t -110.25 134.62 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 CA-C-N 110.498 -3.046 . . . . 0.0 104.979 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.52 128.56 37.58 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 115.4 -2.52 . . . . 0.0 109.474 171.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.31 145.86 16.02 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 111.684 -2.507 . . . . 0.0 111.001 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.62 120.3 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 117.309 -1.756 . . . . 0.0 106.955 165.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -96.85 144.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 112.238 -2.255 . . . . 0.0 108.649 -170.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.128 0 CA-C-N 111.643 -2.526 . . . . 0.0 108.422 -166.791 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 121.345 0.593 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -64.5 -35.87 82.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 113.129 -1.851 . . . . 0.0 112.631 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -73.99 -37.53 64.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.499 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -34.85 78.78 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.139 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.59 -20.46 62.0 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.682 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.36 1.7 27.83 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.913 0.758 . . . . 0.0 111.014 -168.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.01 20.17 76.31 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.599 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -90.74 153.69 20.08 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 117.676 -1.609 . . . . 0.0 107.364 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 104.89 8.79 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.81 108.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.569 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.22 111.05 29.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 110.195 -3.184 . . . . 0.0 106.765 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.84 103.19 14.36 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.239 -1.801 . . . . 0.0 107.256 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.91 -29.46 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 111.752 -2.477 . . . . 0.0 112.117 -165.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.18 145.54 4.15 Favored Glycine 0 C--N 1.354 1.532 0 O-C-N 124.954 1.409 . . . . 0.0 111.525 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -80.9 132.7 31.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 112.351 -1.925 . . . . 0.0 106.685 162.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 tt 73.72 124.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.759 0 O-C-N 125.562 1.788 . . . . 0.0 108.526 -159.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -159.79 176.44 11.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.718 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.01 161.75 39.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.094 166.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -51.67 -28.97 16.3 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.805 1.316 . . . . 0.0 113.493 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.32 -34.6 68.91 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.902 1.376 . . . . 0.0 112.559 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -82.56 -37.03 25.7 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.081 -1.872 . . . . 0.0 112.55 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -34.55 59.03 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 122.712 1.244 . . . . 0.0 113.181 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mt -50.6 -46.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 110.488 -3.051 . . . . 0.0 111.352 159.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -67.16 -34.16 76.97 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.694 1.246 . . . . 0.0 111.359 -170.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -74.1 -28.78 61.52 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 116.829 -1.558 . . . . 0.0 112.026 171.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.44 62.63 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 119.001 -1.079 . . . . 0.0 113.365 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.23 -36.35 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.03 -50.83 29.78 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.625 -1.625 . . . . 0.0 111.498 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.648 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.65 -38.94 13.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 110.149 -3.205 . . . . 0.0 111.384 -166.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 6.8 mtmp? 82.62 83.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.774 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.172 -164.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.64 134.65 45.22 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 112.432 -2.167 . . . . 0.0 111.197 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.39 -32.78 16.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.956 158.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.311 2.5 pt? -140.36 145.13 36.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.185 1.469 . . . . 0.0 111.633 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.5 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 20.5 mt -126.53 120.75 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 110.6 -3.0 . . . . 0.0 107.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.8 t -115.14 138.47 50.87 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.053 -1.885 . . . . 0.0 109.096 -174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.51 135.94 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.459 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.27 112.64 25.6 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 112.602 -2.09 . . . . 0.0 106.757 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.1 p -115.97 136.95 52.56 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.133 -171.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 113.847 -1.524 . . . . 0.0 112.423 -156.531 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 CA-C-O 122.066 0.814 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.55 -28.01 63.56 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 112.81 -1.695 . . . . 0.0 111.433 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -91.1 -44.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 113.808 -1.542 . . . . 0.0 110.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.35 -41.72 39.32 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.2 -168.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.22 -45.61 22.54 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.018 1.449 . . . . 0.0 111.712 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HZ2' HH12 ' A' ' 75' ' ' ARG . 9.2 tmtm? -69.22 134.14 48.83 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.138 -171.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.88 10.79 71.62 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 112.837 -1.983 . . . . 0.0 112.542 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 tp -75.26 -25.66 58.21 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 125.024 1.073 . . . . 0.0 109.253 154.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.642 HH12 ' HZ2' ' A' ' 72' ' ' LYS . 21.4 ttm105 -57.66 -53.99 51.96 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 113.93 -1.486 . . . . 0.0 109.815 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.372 11.5 mp0 -77.48 -26.28 51.16 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.398 20.9 ttmt -76.31 -29.18 57.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 125.2 1.563 . . . . 0.0 112.997 170.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.12 -38.2 52.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 123.473 1.606 . . . . 0.0 110.826 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.65 -43.65 98.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 110.247 -3.16 . . . . 0.0 109.001 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.337 2.3 pt-20 -73.27 -29.84 63.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.644 -2.98 . . . . 0.0 112.863 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.75 3.0 7.09 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.645 -2.071 . . . . 0.0 112.813 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.19 35.95 32.64 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.696 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.9 mt -135.23 71.96 1.44 Allowed 'General case' 0 C--N 1.347 0.489 0 CA-C-N 111.716 -2.242 . . . . 0.0 107.325 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -102.22 117.68 35.27 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.076 -1.874 . . . . 0.0 108.148 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.05 -20.57 2.12 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.498 -174.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.92 124.71 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-N 111.685 -2.258 . . . . 0.0 109.611 170.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.32 135.85 33.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 109.445 -3.525 . . . . 0.0 108.024 161.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 15.2 mt -109.96 134.9 51.61 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.979 1.371 . . . . 0.0 111.307 -175.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -107.62 136.21 47.76 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.234 -3.166 . . . . 0.0 106.328 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 p -135.25 123.79 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 112.189 -2.278 . . . . 0.0 105.72 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.61 152.08 22.77 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 118.397 -1.858 . . . . 0.0 113.157 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.71 -149.51 19.39 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 109.506 -3.347 . . . . 0.0 110.04 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -78.82 95.71 5.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.382 1.086 . . . . 0.0 109.86 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.0 pt -89.44 -43.99 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.339 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.348 0.542 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 174.048 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.572 1.5 m-90 . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.98 -39.9 40.46 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.857 1.342 . . . . 0.0 114.356 167.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.25 -45.04 18.64 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.449 -2.159 . . . . 0.0 112.543 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.0 -34.91 33.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 O-C-N 124.528 1.142 . . . . 0.0 111.716 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.03 -38.4 64.04 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.698 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -60.37 -33.33 72.3 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 118.556 -1.258 . . . . 0.0 111.575 174.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -75.24 -53.13 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.001 -176.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.04 -41.44 59.11 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.395 -168.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.28 -28.89 65.56 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.071 -1.877 . . . . 0.0 112.275 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.33 69.51 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.974 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.4 mmt -70.78 -39.03 73.43 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.395 1.059 . . . . 0.0 109.719 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.06 10.9 0.72 Allowed Glycine 0 C--N 1.355 1.607 0 CA-C-N 113.915 -1.493 . . . . 0.0 113.757 166.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.01 137.33 58.24 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.53 -52.88 59.26 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -144.87 141.26 28.94 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.734 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.26 113.7 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.296 -175.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -103.18 147.19 33.77 Favored Pre-proline 0 C--N 1.361 1.079 0 O-C-N 124.515 1.135 . . . . 0.0 113.407 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.33 169.73 9.66 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.806 2.338 . . . . 0.0 112.101 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.85 116.68 3.71 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 121.72 1.613 . . . . 0.0 111.772 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.71 74.17 1.27 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.898 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.06 137.29 40.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.778 -1.711 . . . . 0.0 107.96 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.2 OUTLIER -64.34 156.07 77.65 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.321 164.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 -19.27 5.8 Favored 'Trans proline' 0 C--N 1.356 0.928 0 O-C-N 123.384 1.202 . . . . 0.0 115.079 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.96 -29.79 65.89 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.314 1.009 . . . . 0.0 110.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.53 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -70.21 -33.08 71.25 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 112.674 -2.057 . . . . 0.0 112.28 176.079 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.6 m -79.13 -35.81 41.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 126.017 2.073 . . . . 0.0 108.787 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.12 -33.01 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 110.973 -2.83 . . . . 0.0 109.524 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.37 -40.6 64.25 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.226 173.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.384 6.7 p30 -74.39 -33.99 63.19 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 114.054 -3.058 . . . . 0.0 114.182 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.9 -33.54 76.08 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.904 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.06 -57.27 4.15 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.911 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -57.64 -34.27 69.16 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.843 -1.526 . . . . 0.0 114.647 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.53 -43.55 83.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.1 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.9 mt -98.05 19.91 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.587 1.179 . . . . 0.0 112.15 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.62 5.61 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.149 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.93 160.23 5.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-N 112.571 -1.815 . . . . 0.0 106.961 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.517 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.834 0.826 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -87.67 109.86 19.99 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 112.642 -2.072 . . . . 0.0 107.367 164.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.618 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 37.6 m -97.21 127.58 43.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.604 -1.635 . . . . 0.0 107.823 166.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.75 123.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 110.333 -3.121 . . . . 0.0 104.119 160.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.314 1.1 t -99.93 133.88 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 CA-C-N 109.313 -3.585 . . . . 0.0 102.566 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.76 129.05 38.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 115.964 -2.294 . . . . 0.0 109.565 169.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.03 145.82 16.07 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 112.578 -2.101 . . . . 0.0 109.694 170.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.6 120.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 171.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.6 tt -103.06 117.98 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 111.443 -2.617 . . . . 0.0 108.8 -163.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.981 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.571 177.37 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -74.01 -38.97 63.91 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 124.645 1.216 . . . . 0.0 111.764 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -75.47 -37.57 60.17 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.239 -1.8 . . . . 0.0 111.031 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -35.42 77.79 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.373 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.5 -20.62 63.72 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.132 -2.304 . . . . 0.0 112.682 174.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 6.74 23.58 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.743 0.652 . . . . 0.0 111.063 -170.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.292 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -98.23 137.9 36.3 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -77.93 104.65 8.62 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.5 t -122.53 109.71 24.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 C-N-CA 117.985 -1.486 . . . . 0.0 109.549 -162.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.7 t -90.96 110.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 110.287 -3.142 . . . . 0.0 107.061 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.0 102.13 14.44 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.824 1.297 . . . . 0.0 108.162 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 pp -72.14 -30.79 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 110.845 -2.889 . . . . 0.0 112.104 -162.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 163.55 11.13 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.961 -1.472 . . . . 0.0 109.881 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -109.17 117.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.77 -1.715 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp 158.81 143.44 0.01 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.844 2.458 . . . . 0.0 106.089 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -74.06 125.69 28.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 113.876 -1.511 . . . . 0.0 110.058 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 171.86 93.96 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 111.653 -2.521 . . . . 0.0 106.748 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.23 -28.96 68.43 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.543 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.64 -25.82 63.1 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 125.024 1.453 . . . . 0.0 113.018 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -35.37 16.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.848 1.342 . . . . 0.0 111.997 -175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -38.11 56.96 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 122.622 1.201 . . . . 0.0 110.104 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.34 -32.9 56.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 110.572 -3.013 . . . . 0.0 110.88 165.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.79 -36.61 84.86 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 118.439 -1.305 . . . . 0.0 110.308 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -74.03 -28.66 61.53 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 116.637 -1.649 . . . . 0.0 112.628 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.34 -30.45 53.96 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 118.4 -1.32 . . . . 0.0 113.097 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.88 -36.39 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.77 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.96 -50.88 29.67 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.649 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.618 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -92.01 -33.62 14.76 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 110.636 -2.984 . . . . 0.0 112.538 -167.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 80.73 75.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 CA-C-N 111.399 -2.637 . . . . 0.0 109.005 -168.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.8 135.68 56.82 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 111.952 -2.386 . . . . 0.0 110.626 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.38 -30.82 17.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.775 159.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.299 2.7 pt? -140.48 145.21 36.63 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.797 -1.547 . . . . 0.0 111.334 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 96.7 mt -124.12 127.58 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 111.263 -2.699 . . . . 0.0 106.136 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -115.02 140.65 48.88 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.706 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 121.8 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 111.08 -2.782 . . . . 0.0 107.598 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.76 113.17 25.16 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.125 1.515 . . . . 0.0 107.378 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -100.81 155.68 17.79 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.613 1.197 . . . . 0.0 110.214 -173.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.351 0.664 0 CA-C-N 111.298 -2.683 . . . . 0.0 110.705 -170.745 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.34 -27.89 60.89 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.375 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.252 47.4 mm -91.13 -45.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.007 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -78.26 -56.49 4.42 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 112.752 -2.022 . . . . 0.0 113.878 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.27 -25.99 46.95 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.941 -156.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HZ1' ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -63.34 113.88 3.49 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.608 1.193 . . . . 0.0 111.614 -165.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.47 27.37 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.181 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.74 -26.04 57.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.899 1.0 . . . . 0.0 112.338 157.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -73.05 -37.96 66.65 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 117.568 -1.653 . . . . 0.0 108.653 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.375 31.5 tt0 -77.49 -26.36 51.19 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 174.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.295 27.3 mmtp -76.29 -29.29 57.33 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 125.365 1.666 . . . . 0.0 112.642 165.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.62 -36.9 57.17 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 125.269 1.605 . . . . 0.0 110.411 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.53 -43.69 96.4 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 110.671 -2.968 . . . . 0.0 109.953 173.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 24.1 mm-40 -73.12 -29.71 63.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 109.45 -3.523 . . . . 0.0 112.412 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.88 0.15 14.21 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.197 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.6 39.09 30.68 Favored Glycine 0 C--N 1.352 1.472 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 mt -140.75 54.37 1.59 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 111.561 -2.319 . . . . 0.0 107.544 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 116.69 29.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.071 -1.877 . . . . 0.0 108.79 172.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.37 -28.44 1.21 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 111.938 -2.392 . . . . 0.0 107.521 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.9 mp -65.24 124.77 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 111.948 -2.126 . . . . 0.0 109.949 167.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -91.01 137.57 32.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.755 163.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 5.1 mt -109.88 134.36 52.15 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 123.597 1.665 . . . . 0.0 110.878 -177.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -107.81 132.72 53.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 109.622 -3.445 . . . . 0.0 106.006 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 123.33 33.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.78 152.26 20.66 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 113.423 -1.717 . . . . 0.0 114.075 -160.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.85 -143.29 16.44 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 110.593 -2.804 . . . . 0.0 109.412 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.92 120.82 23.32 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 166.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.22 -24.9 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 124.86 1.35 . . . . 0.0 111.552 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 C--N 1.35 0.616 0 CA-C-O 122.494 1.14 . . . . 0.0 112.539 175.748 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.564 1.9 m-90 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.02 -43.75 29.59 Favored 'Trans proline' 0 CA--C 1.551 1.37 0 N-CA-C 115.945 1.479 . . . . 0.0 115.945 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -80.18 -30.03 38.75 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.565 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.3 t -75.4 -52.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.196 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.3 -37.29 80.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.346 174.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.95 -45.56 90.16 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.71 1.256 . . . . 0.0 111.744 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -73.87 -53.31 10.48 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.319 1.012 . . . . 0.0 111.797 -170.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -50.23 64.92 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.2 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -73.5 -28.7 62.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.827 -2.442 . . . . 0.0 111.854 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.99 69.72 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 112.171 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.466 ' HG3' ' HZ1' ' A' ' 72' ' ' LYS . 10.0 mmt -68.04 -54.11 20.77 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 118.882 -1.127 . . . . 0.0 109.128 169.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.51 6.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.553 0 CA-C-N 113.032 -1.895 . . . . 0.0 113.812 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.58 136.68 56.79 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-O 121.706 0.765 . . . . 0.0 109.325 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.01 -62.02 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 113.188 -1.824 . . . . 0.0 110.485 -172.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -145.17 147.98 33.07 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.971 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.13 115.69 46.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.001 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -85.08 135.79 39.07 Favored Pre-proline 0 C--N 1.351 0.65 0 CA-C-N 113.47 -1.695 . . . . 0.0 110.015 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -55.71 179.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.428 2.086 . . . . 0.0 114.917 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -62.86 115.79 3.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 121.176 1.251 . . . . 0.0 113.396 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.09 71.68 0.89 Allowed Glycine 0 C--N 1.352 1.439 0 CA-C-N 113.637 -1.62 . . . . 0.0 112.776 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.17 137.5 40.36 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.659 -1.771 . . . . 0.0 111.6 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.557 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.1 p -48.9 159.3 0.57 Allowed Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.5 168.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.07 -14.14 8.69 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.475 1.45 . . . . 0.0 113.005 174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.98 62.15 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.312 -173.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.557 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -68.91 -31.68 70.76 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.621 174.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 -39.98 31.78 Favored 'General case' 0 N--CA 1.437 -1.081 0 O-C-N 126.485 2.366 . . . . 0.0 108.981 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.2 -34.03 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 110.773 -2.921 . . . . 0.0 109.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.35 65.56 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.428 -1.714 . . . . 0.0 111.481 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.476 23.0 p30 -77.03 -29.02 55.12 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 113.291 -3.364 . . . . 0.0 115.046 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.0 ptp -72.73 -29.76 63.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.899 173.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.24 -57.16 8.17 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.113 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.48 -45.32 92.0 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.924 -1.944 . . . . 0.0 114.555 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.79 -46.3 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.274 -174.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.5 mt -82.87 -1.76 52.92 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.186 -1.37 . . . . 0.0 112.11 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.27 71.61 1.07 Allowed Glycine 0 C--N 1.356 1.67 0 O-C-N 124.223 0.952 . . . . 0.0 110.807 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.0 t -143.89 165.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 112.426 -1.887 . . . . 0.0 107.058 -171.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.937 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -95.23 109.67 21.76 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.554 HG21 ' CG2' ' A' ' 53' ' ' THR . 98.1 m -93.83 139.48 30.82 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.557 -2.111 . . . . 0.0 107.043 169.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.84 133.21 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 110.609 -2.996 . . . . 0.0 105.531 163.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 116.88 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 111.157 -2.747 . . . . 0.0 105.406 -167.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.3 128.99 38.94 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.223 -2.591 . . . . 0.0 110.924 -173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.21 145.37 15.86 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 111.137 -2.756 . . . . 0.0 109.264 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -97.92 121.0 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 168.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -96.72 121.8 47.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.198 -163.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.325 0 CA-C-N 111.292 -2.686 . . . . 0.0 111.065 169.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.283 0.564 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -75.7 -26.87 57.94 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.622 -174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.21 -36.4 81.62 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.635 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.72 84.4 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.903 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -68.86 -20.61 64.28 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.461 -2.154 . . . . 0.0 112.767 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.6 3.35 41.15 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.964 0.79 . . . . 0.0 110.522 -168.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.19 21.05 78.67 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.58 -1.645 . . . . 0.0 111.035 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.08 143.7 26.13 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 104.83 8.72 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.2 t -124.06 108.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 CA-C-N 113.878 -1.51 . . . . 0.0 107.957 -170.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.45 110.75 26.55 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.057 174.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.15 104.78 17.3 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.788 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.45 -13.75 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 111.982 -2.372 . . . . 0.0 112.0 -170.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.11 170.05 23.18 Favored Glycine 0 C--N 1.357 1.741 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.686 163.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -80.91 149.06 5.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 112.089 -2.056 . . . . 0.0 108.961 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 tp 57.82 86.26 0.08 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.023 -1.899 . . . . 0.0 110.692 -174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -159.27 162.93 36.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 109.98 -3.282 . . . . 0.0 106.971 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -151.81 178.89 8.92 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.208 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -47.99 -28.83 2.98 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -163.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -60.92 -39.27 88.76 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.172 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -81.09 -32.63 33.8 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.986 -1.461 . . . . 0.0 113.124 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CE2' HG13 ' A' ' 60' ' ' VAL . 21.0 m-85 -74.05 -48.18 31.73 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.563 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 pt -59.25 -32.87 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 113.242 -1.799 . . . . 0.0 111.028 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -68.06 -29.03 67.89 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 125.24 1.587 . . . . 0.0 110.823 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -74.02 -28.84 61.63 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 115.701 -2.095 . . . . 0.0 112.135 170.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.51 -30.67 61.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.339 1.427 . . . . 0.0 113.548 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.7 mt -70.39 -36.06 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 113.527 -1.67 . . . . 0.0 108.15 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.11 -51.07 11.65 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.695 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.554 ' CG2' HG21 ' A' ' 5' ' ' THR . 1.4 t -84.05 -39.55 19.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.59 -2.55 . . . . 0.0 112.634 -165.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 53' ' ' THR . 29.3 mtpt 91.05 66.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 126.851 2.595 . . . . 0.0 110.608 -167.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.429 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -86.06 137.47 32.67 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.363 -1.744 . . . . 0.0 110.803 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.32 -24.35 20.9 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.485 165.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.2 pt? -140.29 145.04 36.75 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 123.417 1.579 . . . . 0.0 112.853 -175.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -127.96 107.82 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 110.031 -3.259 . . . . 0.0 108.575 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 m -103.62 114.67 29.11 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.628 1.205 . . . . 0.0 111.26 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG13 ' CE2' ' A' ' 46' ' ' PHE . 11.1 m -97.72 148.18 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 122.113 0.958 . . . . 0.0 109.557 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.1 117.33 30.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 112.039 -2.346 . . . . 0.0 108.506 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 t -100.98 164.27 11.9 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 122.398 1.094 . . . . 0.0 109.206 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.54 0.591 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.096 -165.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.221 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -39.85 48.28 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-O 122.54 1.162 . . . . 0.0 109.552 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.33 -32.34 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 111.749 -2.478 . . . . 0.0 110.44 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.33 -35.11 68.5 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.102 -1.408 . . . . 0.0 110.016 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.7 t -51.63 -38.94 56.98 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.117 -172.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 111.86 14.41 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.74 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.82 78.85 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 111.837 -2.438 . . . . 0.0 115.877 153.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 tp -75.78 -25.97 56.93 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.339 1.069 . . . . 0.0 111.186 152.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -57.83 -50.45 73.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.992 1.432 . . . . 0.0 109.984 166.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 27.8 mt-10 -77.6 -26.46 50.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.285 32.5 mmtp -76.51 -29.46 56.8 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 125.137 1.523 . . . . 0.0 112.966 168.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 83' ' ' LEU . 47.4 t -77.08 -40.2 46.92 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 125.675 1.86 . . . . 0.0 109.596 174.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.82 -39.65 93.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 110.439 -3.073 . . . . 0.0 110.078 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 27.8 mt-10 -73.09 -29.46 62.94 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 110.384 -3.098 . . . . 0.0 112.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.58 -0.34 14.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.4 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.02 17.76 79.85 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.244 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.436 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . 35.5 mt -90.79 -25.81 19.76 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 113.243 -1.479 . . . . 0.0 111.519 -173.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 114.0 0.12 Allowed 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.798 1.936 . . . . 0.0 114.02 -170.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.35 -27.48 0.78 Allowed Glycine 0 C--N 1.344 0.994 0 CA-C-N 111.062 -2.79 . . . . 0.0 107.605 -170.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.99 136.23 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 111.574 -2.313 . . . . 0.0 110.42 166.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.56 134.22 34.23 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 108.928 -3.76 . . . . 0.0 108.046 162.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.8 mt -109.8 137.17 47.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-O 123.329 1.538 . . . . 0.0 108.871 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -107.48 146.18 32.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 110.208 -3.178 . . . . 0.0 107.821 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.26 123.82 34.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 113.032 -1.895 . . . . 0.0 107.674 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.01 23.89 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 113.815 -1.539 . . . . 0.0 110.967 -171.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.4 108.24 0.24 Allowed Glycine 0 CA--C 1.536 1.351 0 CA-C-N 112.351 -1.924 . . . . 0.0 111.825 170.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 56.83 53.74 7.9 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 122.414 1.102 . . . . 0.0 110.246 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 pt -75.24 -55.95 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 111.866 -2.425 . . . . 0.0 112.561 -161.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.349 0.564 0 CA-C-O 123.853 1.787 . . . . 0.0 110.361 -163.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.3 1.9 m-90 . . . . . 0 CA--C 1.545 0.754 0 N-CA-C 119.305 3.076 . . . . 0.0 119.305 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 -39.24 91.07 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 114.924 1.086 . . . . 0.0 114.924 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.99 -43.07 22.65 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.859 -1.973 . . . . 0.0 111.597 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.76 -57.95 8.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 113.89 -1.504 . . . . 0.0 110.246 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.46 -28.35 69.15 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.186 1.554 . . . . 0.0 112.528 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -57.77 -43.02 85.25 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 118.155 -1.418 . . . . 0.0 111.449 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -78.1 -37.91 45.28 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.937 -1.483 . . . . 0.0 112.494 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.04 -39.37 61.07 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.09 0.869 . . . . 0.0 111.189 -171.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -71.23 -28.63 64.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.944 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.93 67.94 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 124.158 0.911 . . . . 0.0 112.073 173.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 22.8 mmt -74.87 -37.08 62.26 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 124.153 0.908 . . . . 0.0 109.584 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.46 -17.4 3.76 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-N 112.776 -2.011 . . . . 0.0 112.406 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.17 115.8 5.35 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 122.004 0.907 . . . . 0.0 109.231 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.39 -37.39 71.57 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.745 -2.48 . . . . 0.0 111.892 -161.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -140.96 147.49 38.85 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 124.976 1.422 . . . . 0.0 110.874 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.34 113.94 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 110.649 -2.978 . . . . 0.0 110.077 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -93.05 146.5 32.09 Favored Pre-proline 0 C--N 1.36 1.062 0 O-C-N 124.043 0.839 . . . . 0.0 111.371 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -62.81 -178.86 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 122.086 1.857 . . . . 0.0 114.961 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.89 120.98 6.96 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 122.452 2.101 . . . . 0.0 111.485 162.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.49 66.19 2.21 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.589 -1.641 . . . . 0.0 111.384 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.89 137.73 35.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 111.943 -2.128 . . . . 0.0 109.313 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -49.7 149.13 4.62 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.291 158.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.06 -9.91 10.47 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 121.043 1.162 . . . . 0.0 113.497 173.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.28 -29.71 68.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.53 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -70.93 -36.66 72.73 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 113.38 -1.737 . . . . 0.0 112.382 177.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.41 -32.78 42.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 126.285 2.24 . . . . 0.0 109.194 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.3 mt -75.15 -39.76 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.728 -2.487 . . . . 0.0 110.414 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.62 64.22 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.348 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.99 -55.18 24.24 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 116.447 -2.101 . . . . 0.0 112.732 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.32 -33.09 75.15 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.986 0.804 . . . . 0.0 112.305 -173.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.93 -56.73 5.59 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.373 -1.74 . . . . 0.0 109.769 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.05 -37.35 82.33 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.94 -38.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.878 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.09 -4.33 58.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.495 1.122 . . . . 0.0 111.876 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.33 79.15 0.36 Allowed Glycine 0 C--N 1.353 1.52 0 O-C-N 124.297 0.998 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.82 155.85 8.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.926 -1.637 . . . . 0.0 107.661 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 CA--C 1.543 0.684 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.563 -179.213 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 109.82 22.5 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 112.237 -2.256 . . . . 0.0 106.659 168.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.589 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 94.5 m -92.74 130.54 38.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 112.498 -2.137 . . . . 0.0 107.801 170.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 131.78 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 CA-C-N 110.313 -3.13 . . . . 0.0 104.87 160.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.26 1.2 t -117.36 136.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 109.832 -3.349 . . . . 0.0 103.618 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 129.16 38.66 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.603 -2.439 . . . . 0.0 108.771 167.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.05 145.84 16.07 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 111.863 -2.426 . . . . 0.0 110.824 173.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.43 120.63 47.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.82 144.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 111.364 -2.653 . . . . 0.0 112.13 -160.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.449 0 CA-C-N 111.35 -2.659 . . . . 0.0 111.246 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.219 -0.527 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -37.65 83.79 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.79 1.307 . . . . 0.0 112.034 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -76.0 -35.63 59.5 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.831 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.44 79.58 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.4 1.095 . . . . 0.0 109.436 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.26 -20.48 62.9 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 111.561 -2.563 . . . . 0.0 112.774 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 4.8 21.09 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 123.753 0.658 . . . . 0.0 110.677 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 17.26 74.56 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -92.56 156.16 17.31 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 117.294 -1.762 . . . . 0.0 108.9 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -77.84 104.98 8.72 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 162.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.54 108.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 113.207 -1.815 . . . . 0.0 107.684 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.71 117.36 45.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 110.401 -3.09 . . . . 0.0 106.9 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -85.83 100.97 12.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.744 -2.025 . . . . 0.0 106.683 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -41.0 80.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.389 -167.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.96 156.07 8.02 Favored Glycine 0 C--N 1.352 1.469 0 CA-C-N 113.049 -1.887 . . . . 0.0 111.184 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 t -80.9 170.13 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 110.69 -2.755 . . . . 0.0 105.514 159.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tp 83.96 38.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.328 1.018 . . . . 0.0 110.719 172.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -179.16 4.15 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.704 -170.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 m -153.38 -170.04 3.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.718 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.01 -45.22 31.61 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.01 -24.95 63.37 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 124.433 1.083 . . . . 0.0 111.905 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.88 -31.4 40.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.659 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.58 -37.44 56.5 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.639 1.685 . . . . 0.0 112.166 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.89 -36.25 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.115 -3.675 . . . . 0.0 112.981 158.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -70.76 -28.83 64.98 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.083 0.864 . . . . 0.0 111.282 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -70.89 -28.67 64.71 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 116.527 -1.702 . . . . 0.0 111.596 164.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.55 65.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.595 -1.242 . . . . 0.0 113.879 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.5 mt -68.28 -36.94 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 172.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.12 -50.74 25.53 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.384 -1.734 . . . . 0.0 111.771 -172.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.589 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.26 -36.06 15.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.295 -3.139 . . . . 0.0 111.468 -167.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 mttm 80.79 79.84 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 CA-C-N 111.942 -2.39 . . . . 0.0 109.794 -166.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -71.26 139.35 49.98 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 112.477 -2.147 . . . . 0.0 111.886 -175.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -90.36 -34.22 15.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.567 156.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.317 2.6 pt? -140.31 144.97 36.64 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 123.317 1.532 . . . . 0.0 112.916 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.522 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 44.2 mt -123.35 126.75 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 110.349 -3.114 . . . . 0.0 106.843 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 t -115.05 141.07 48.5 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.065 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.78 121.86 60.81 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 111.021 -2.809 . . . . 0.0 106.409 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 112.82 24.89 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 112.877 -1.965 . . . . 0.0 107.424 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 120.92 41.44 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.659 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.347 0.495 0 CA-C-N 112.416 -2.175 . . . . 0.0 109.112 -167.401 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.835 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -65.35 -27.93 68.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 125.023 1.072 . . . . 0.0 111.87 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.96 -44.61 92.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 O-C-N 124.753 1.283 . . . . 0.0 110.696 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -56.34 4.58 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.584 1.178 . . . . 0.0 111.853 173.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 71.2 m -56.75 -25.66 55.51 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.685 -2.052 . . . . 0.0 113.655 -164.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 112.0 0.91 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.695 1.247 . . . . 0.0 111.224 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.88 56.35 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.847 -1.979 . . . . 0.0 112.474 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.7 tp -75.75 -26.23 57.24 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.432 0.724 . . . . 0.0 111.076 153.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -63.98 -45.24 89.96 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.368 169.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.326 27.9 mt-10 -77.49 -26.29 51.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -29.61 56.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.563 1.79 . . . . 0.0 111.894 167.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.34 -35.16 54.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.537 1.637 . . . . 0.0 110.858 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.62 -43.37 84.93 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 109.942 -3.299 . . . . 0.0 109.789 172.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.314 25.4 mm-40 -73.24 -29.77 63.0 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 109.898 -3.319 . . . . 0.0 112.845 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 0.54 12.89 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.832 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 38.77 34.67 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -141.23 47.15 1.71 Allowed 'General case' 0 C--N 1.347 0.5 0 CA-C-N 111.735 -2.233 . . . . 0.0 108.566 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 116.63 22.88 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.329 172.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.88 -28.83 0.92 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 112.311 -2.222 . . . . 0.0 107.944 -170.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.97 124.87 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 111.528 -2.336 . . . . 0.0 110.222 168.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -89.28 150.45 22.6 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 109.865 -3.334 . . . . 0.0 108.039 158.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.522 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 22.5 mt -125.82 137.72 53.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.675 1.226 . . . . 0.0 111.286 -170.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -107.81 132.51 53.34 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.532 170.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.02 123.6 34.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.97 152.16 24.0 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 112.951 -1.931 . . . . 0.0 113.407 -168.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.8 -146.38 16.3 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 110.743 -2.729 . . . . 0.0 108.589 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.91 -48.9 51.09 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.266 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.5 pt 49.39 35.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 111.103 -2.772 . . . . 0.0 112.892 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.347 0.483 0 CA-C-N 112.082 -2.326 . . . . 0.0 105.588 176.72 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.44 1.3 m-90 . . . . . 0 CA--C 1.559 1.321 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.8 -52.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.373 1.847 0 CA-C-N 123.246 2.195 . . . . 0.0 112.22 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.24 -29.92 38.46 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.94 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.97 -49.1 83.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.205 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -66.58 -33.76 76.38 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.606 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -61.54 -37.14 82.7 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.333 1.02 . . . . 0.0 111.853 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -74.33 -53.22 10.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.944 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.73 -55.01 12.74 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.413 -1.722 . . . . 0.0 111.275 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -64.66 -30.28 71.29 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.119 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.1 94.33 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.824 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.2 ptm -74.2 -21.65 59.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.976 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.28 -2.72 2.35 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 124.485 1.115 . . . . 0.0 114.975 162.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -54.8 134.55 47.9 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.965 0.888 . . . . 0.0 111.222 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.92 -56.54 11.22 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 112.458 -2.155 . . . . 0.0 110.697 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -134.99 146.6 49.22 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.093 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.07 113.78 39.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.07 -2.332 . . . . 0.0 107.455 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.402 ' HH ' ' CG ' ' A' ' 129' ' ' ASP . 95.1 m-85 -92.56 122.21 64.74 Favored Pre-proline 0 C--N 1.347 0.475 0 CA-C-N 112.67 -2.059 . . . . 0.0 112.458 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -52.8 165.35 1.19 Allowed 'Trans proline' 0 C--N 1.371 1.744 0 N-CA-C 114.936 1.091 . . . . 0.0 114.936 167.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.96 0.27 3.31 Favored 'Trans proline' 0 C--N 1.369 1.61 0 N-CA-C 119.152 2.712 . . . . 0.0 119.152 -167.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.43 75.55 0.17 Allowed Glycine 0 C--N 1.348 1.209 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.08 137.33 40.5 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.023 -2.088 . . . . 0.0 110.079 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.519 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.2 p -50.76 169.41 0.21 Allowed Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.686 -2.507 . . . . 0.0 111.387 168.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.76 -19.87 5.81 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 120.906 1.071 . . . . 0.0 113.461 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -74.35 -29.97 61.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.273 -168.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.519 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -73.17 -31.77 64.44 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.847 177.165 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -39.63 32.66 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 126.418 2.324 . . . . 0.0 108.943 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 85.8 mt -75.04 -32.8 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 109.601 -3.454 . . . . 0.0 108.588 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.24 65.32 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.526 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' CG ' ' HH ' ' A' ' 117' ' ' TYR 0.433 27.9 p30 -75.64 -31.46 59.83 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 114.058 -3.057 . . . . 0.0 114.509 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 8.1 ptp -71.75 -40.15 69.54 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 118.066 -1.453 . . . . 0.0 112.545 171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -63.56 -57.07 11.3 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.15 -33.87 71.41 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.038 -1.437 . . . . 0.0 114.214 -176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.86 -45.38 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.972 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 70.2 mt -83.55 8.42 14.19 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.006 -173.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.07 53.7 6.08 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 122.214 0.897 . . . . 0.0 111.256 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -149.17 177.11 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 112.09 -2.055 . . . . 0.0 106.537 -174.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.962 172.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -89.48 109.45 20.38 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 116.765 -1.974 . . . . 0.0 107.056 165.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.636 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 26.5 m -87.78 141.98 28.17 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 112.725 -2.034 . . . . 0.0 106.15 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.27 122.4 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 159.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.294 2.2 t -100.26 116.98 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.158 0 CA-C-N 109.379 -3.555 . . . . 0.0 101.766 175.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.06 128.93 39.29 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 116.34 -2.144 . . . . 0.0 107.133 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.78 145.66 16.06 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 110.932 -2.849 . . . . 0.0 108.595 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -97.47 120.17 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tt -96.81 130.4 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 111.968 -2.378 . . . . 0.0 107.323 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.341 0.809 0 CA-C-N 111.989 -2.369 . . . . 0.0 108.261 -178.502 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.545 0.688 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -60.37 -38.36 83.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.062 -1.881 . . . . 0.0 114.076 -168.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.45 -35.4 65.73 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.171 -1.377 . . . . 0.0 110.91 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -35.63 80.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.161 -1.836 . . . . 0.0 110.068 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.51 -20.63 62.82 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.228 -2.26 . . . . 0.0 112.256 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.24 4.36 50.84 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.153 0.908 . . . . 0.0 110.358 -170.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.95 76.16 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.35 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.62 147.88 22.83 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' THR . 7.0 t30 -77.9 111.71 14.02 Favored 'General case' 0 C--N 1.361 1.07 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 175.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -127.32 108.88 19.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 118.054 -1.458 . . . . 0.0 109.171 -173.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.01 110.97 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 110.787 -2.915 . . . . 0.0 107.493 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -85.96 104.42 15.57 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.99 -1.914 . . . . 0.0 107.076 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.82 -19.55 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 112.831 -1.986 . . . . 0.0 111.117 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.08 -172.19 23.18 Favored Glycine 0 C--N 1.355 1.61 0 CA-C-N 113.682 -1.599 . . . . 0.0 110.344 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 m -80.93 118.01 27.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 CA-C-N 112.605 -1.797 . . . . 0.0 108.095 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 134.56 2.29 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.051 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -104.47 52.98 0.74 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.503 -1.68 . . . . 0.0 111.486 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 m -162.49 118.88 1.95 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -28.86 67.14 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.128 -1.851 . . . . 0.0 111.876 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.95 -33.15 62.07 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.732 1.27 . . . . 0.0 112.102 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.23 -27.08 30.19 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 113.991 -1.458 . . . . 0.0 112.311 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -47.1 25.5 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.003 0.906 . . . . 0.0 110.005 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.8 mt -49.91 -32.53 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 129.805 3.242 . . . . 0.0 112.05 158.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -36.52 79.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 116.854 -1.938 . . . . 0.0 109.622 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.89 -55.13 14.01 Favored 'General case' 0 C--N 1.361 1.094 0 CA-C-O 115.179 -2.343 . . . . 0.0 111.412 158.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.56 70.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 113.026 -3.47 . . . . 0.0 116.717 -162.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.68 -53.16 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.722 167.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.58 -50.74 56.95 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.636 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 14.1 t -84.53 -44.14 13.86 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.704 -168.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttt 95.32 73.95 0.0 OUTLIER 'General case' 0 C--N 1.35 0.609 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.484 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -56.63 133.9 54.1 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 110.824 -2.898 . . . . 0.0 109.05 169.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -26.94 19.5 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.312 153.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.45 144.72 36.26 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.982 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 35.6 mt -120.33 129.54 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 111.185 -2.734 . . . . 0.0 108.307 176.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.19 138.27 51.11 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.969 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 121.78 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 111.595 -2.548 . . . . 0.0 107.132 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -115.09 112.81 23.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.188 1.555 . . . . 0.0 109.356 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 p -100.89 164.06 12.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.152 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.7 mt . . . . . 0 C--N 1.352 0.713 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.633 -160.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.724 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.85 -32.19 69.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.601 -1.8 . . . . 0.0 112.319 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.96 -44.35 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.479 -172.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -48.55 17.08 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 73.7 m -56.56 -25.56 52.59 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.317 -2.22 . . . . 0.0 113.431 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -49.65 112.07 0.6 Allowed 'General case' 0 CA--C 1.548 0.9 0 O-C-N 124.763 1.29 . . . . 0.0 112.164 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.55 44.03 17.46 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.398 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -75.58 -29.47 59.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.615 0.832 . . . . 0.0 110.11 154.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 -61.82 -43.46 98.8 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 116.397 -2.121 . . . . 0.0 110.191 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.329 31.3 mt-10 -77.45 -26.29 51.32 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 117.716 2.487 . . . . 0.0 117.716 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.254 96.6 mttt -76.47 -29.59 56.95 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 125.193 1.558 . . . . 0.0 113.656 166.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.7 t -77.2 -35.26 55.84 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.388 1.566 . . . . 0.0 111.264 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -76.82 -34.0 57.93 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 110.293 -3.14 . . . . 0.0 109.358 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.329 0.0 OUTLIER -73.21 -29.86 63.1 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 116.492 -2.083 . . . . 0.0 112.891 176.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 0.26 13.54 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.328 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 34.64 47.12 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -134.67 37.67 3.08 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.983 -2.109 . . . . 0.0 109.501 -173.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 116.5 18.75 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.842 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.77 -34.55 0.87 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-N 111.703 -2.498 . . . . 0.0 107.41 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.89 124.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 111.624 -2.288 . . . . 0.0 110.633 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.21 148.33 23.01 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 109.8 -3.364 . . . . 0.0 108.048 171.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.406 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 49.0 mt -127.8 132.62 49.46 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.562 1.649 . . . . 0.0 112.043 -164.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -107.91 141.47 39.48 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 110.466 -3.061 . . . . 0.0 107.843 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.7 34.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 CA-C-N 112.854 -1.975 . . . . 0.0 107.432 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.49 152.17 22.33 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 113.205 -1.816 . . . . 0.0 111.665 -167.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.96 -130.63 10.31 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.611 -2.294 . . . . 0.0 109.765 171.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.0 76.17 9.86 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.762 1.267 . . . . 0.0 109.687 -172.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.8 pt -80.77 -49.02 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 111.462 -2.608 . . . . 0.0 111.287 -169.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.543 0.687 0 CA-C-N 113.435 -1.711 . . . . 0.0 111.745 -175.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.391 1.7 m-90 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.8 -38.62 85.45 Favored 'Trans proline' 0 C--N 1.362 1.239 0 N-CA-C 115.567 1.334 . . . . 0.0 115.567 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.14 -46.71 15.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 113.252 -1.794 . . . . 0.0 111.332 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.16 -59.01 4.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.38 -174.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.39 -27.78 68.12 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 112.59 -2.095 . . . . 0.0 112.994 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -55.7 -35.53 66.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 117.656 -1.618 . . . . 0.0 112.112 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -52.99 11.45 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.265 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -68.42 -32.13 71.95 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.313 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -81.08 -28.42 35.28 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 125.175 1.547 . . . . 0.0 111.407 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.62 -29.63 66.65 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 124.299 1.0 . . . . 0.0 111.566 168.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 20.9 mmt -79.28 -43.68 23.19 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.65 10.57 9.23 Favored Glycine 0 CA--C 1.54 1.599 0 CA-C-N 113.425 -1.716 . . . . 0.0 114.11 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -52.17 115.98 1.98 Allowed 'General case' 0 C--N 1.36 1.028 0 CA-C-O 121.214 0.531 . . . . 0.0 111.089 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -36.82 -59.55 0.68 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 125.877 1.986 . . . . 0.0 112.951 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -145.11 156.15 43.73 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 124.826 1.329 . . . . 0.0 109.968 168.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -111.89 113.99 45.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.83 -2.441 . . . . 0.0 108.962 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -88.93 143.79 31.95 Favored Pre-proline 0 C--N 1.359 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 111.747 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.02 179.82 0.53 Allowed 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.508 2.139 . . . . 0.0 114.822 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.74 117.66 4.58 Favored 'Trans proline' 0 C--N 1.363 1.308 0 C-N-CA 121.466 1.444 . . . . 0.0 110.643 165.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.33 66.94 1.6 Allowed Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.526 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.52 40.19 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.358 -1.921 . . . . 0.0 110.29 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.56 157.16 0.75 Allowed Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.87 162.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.41 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.17 1.247 . . . . 0.0 112.909 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.25 -29.73 64.19 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.531 1.144 . . . . 0.0 111.467 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.564 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -72.56 -34.43 67.49 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 124.925 1.391 . . . . 0.0 112.02 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.71 -37.8 34.86 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 126.472 2.357 . . . . 0.0 108.965 -171.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 82.9 mt -75.22 -37.12 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.94 63.91 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.881 1.363 . . . . 0.0 111.033 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.75 -55.53 33.19 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.18 -2.208 . . . . 0.0 112.229 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.906 0.754 . . . . 0.0 112.315 -174.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.75 -57.07 14.52 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.525 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.5 -57.06 14.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.682 -1.599 . . . . 0.0 113.267 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.22 -47.07 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 112.523 -2.126 . . . . 0.0 113.278 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.31 8.97 19.29 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.193 0.933 . . . . 0.0 111.841 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.73 71.85 1.0 Allowed Glycine 0 C--N 1.355 1.627 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.548 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -146.4 162.44 9.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 112.897 -1.652 . . . . 0.0 107.052 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.869 177.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 115.42 28.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.011 -1.904 . . . . 0.0 107.724 172.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.7 m -82.92 128.14 34.17 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 110.927 -2.851 . . . . 0.0 107.477 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.99 149.15 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.17 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 170.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 5.3 t -130.17 116.82 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.404 0 CA-C-N 108.954 -3.748 . . . . 0.0 103.245 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.7 129.01 50.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 103.284 -2.858 . . . . 0.0 103.284 167.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.32 142.95 14.79 Favored Glycine 0 C--N 1.344 0.975 0 N-CA-C 103.835 -3.706 . . . . 0.0 103.835 167.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t -98.03 120.63 47.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 117.878 -1.529 . . . . 0.0 107.003 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.62 117.74 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.295 -177.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 CA-C-N 110.772 -2.922 . . . . 0.0 112.42 173.11 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -75.94 -26.87 57.29 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.886 1.366 . . . . 0.0 113.377 -159.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -67.0 -39.45 87.11 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.855 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -35.59 81.37 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 112.429 -2.168 . . . . 0.0 110.673 177.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -71.87 -20.69 61.76 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.451 -2.159 . . . . 0.0 112.346 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.2 14.0 13.7 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.179 0.924 . . . . 0.0 110.617 -164.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.43 20.25 76.8 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.712 -175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 151.74 19.65 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -79.41 104.64 10.16 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.27 123.29 61.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 125.079 1.487 . . . . 0.0 110.356 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -101.64 115.41 43.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 CA-C-N 111.449 -2.614 . . . . 0.0 107.883 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.97 97.96 10.55 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 112.244 -2.253 . . . . 0.0 108.238 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -29.29 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 111.018 -2.81 . . . . 0.0 110.406 175.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.65 177.62 41.94 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.783 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.96 139.05 18.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 113.415 -1.393 . . . . 0.0 111.021 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.14 -49.33 0.05 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.53 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t 69.56 87.45 0.12 Allowed 'General case' 0 C--N 1.344 0.364 0 CA-C-N 111.444 -2.617 . . . . 0.0 111.397 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p 179.13 128.83 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 125.376 1.672 . . . . 0.0 110.229 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -47.81 -33.82 7.81 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.236 -2.256 . . . . 0.0 112.028 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.44 -39.45 73.14 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.623 1.202 . . . . 0.0 113.264 -170.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.97 -30.58 19.92 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 124.375 1.047 . . . . 0.0 110.807 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -35.69 58.98 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.728 1.252 . . . . 0.0 112.932 -172.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mt -50.01 -50.19 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 110.931 -2.849 . . . . 0.0 110.91 155.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.88 -28.7 70.02 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 125.127 1.517 . . . . 0.0 113.439 -171.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.97 -28.75 61.63 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.595 0.559 . . . . 0.0 111.257 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.36 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 116.797 -1.961 . . . . 0.0 113.228 165.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.79 -40.0 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.897 174.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -77.08 -50.31 13.35 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 113.553 -1.658 . . . . 0.0 111.353 -168.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -100.32 -26.09 14.01 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 125.756 1.91 . . . . 0.0 114.907 -173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 86.15 74.59 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.222 0 O-C-N 125.583 1.802 . . . . 0.0 109.992 172.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 142.21 55.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 109.758 -3.383 . . . . 0.0 111.866 -176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -90.25 -27.58 19.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 112.598 -2.092 . . . . 0.0 109.533 156.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.29 2.6 pt? -140.47 145.01 36.37 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 122.913 1.339 . . . . 0.0 113.143 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 mt -128.93 127.03 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 111.531 -2.577 . . . . 0.0 107.409 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -109.49 137.72 46.92 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 112.227 -2.261 . . . . 0.0 108.149 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.65 121.79 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 111.267 -2.697 . . . . 0.0 105.076 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -110.93 114.47 27.83 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.809 -1.996 . . . . 0.0 108.969 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -100.49 109.96 22.11 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 113.372 -1.74 . . . . 0.0 108.615 -158.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.348 0.525 0 CA-C-N 110.462 -3.063 . . . . 0.0 108.057 169.816 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.11 -37.76 33.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.216 -1.492 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.9 -44.51 51.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 112.818 -1.992 . . . . 0.0 110.599 -166.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.43 -56.06 4.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.831 1.332 . . . . 0.0 111.554 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -63.79 -25.76 68.32 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.577 -163.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -59.54 111.82 1.55 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.224 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.77 25.36 69.86 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 113.734 -1.575 . . . . 0.0 113.267 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.47 -25.72 57.62 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.892 0.995 . . . . 0.0 110.814 155.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -42.23 99.34 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 118.234 -1.387 . . . . 0.0 109.524 168.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.346 12.1 tm-20 -77.61 -26.36 50.59 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 177.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -76.28 -29.21 57.32 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 126.145 2.153 . . . . 0.0 112.415 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.12 -34.43 56.67 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.826 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -67.87 -39.27 83.77 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 111.213 -2.721 . . . . 0.0 110.337 170.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -72.52 -29.91 64.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 111.032 -2.804 . . . . 0.0 111.591 -177.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 0.98 11.48 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.624 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.03 35.28 44.72 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 67.3 mt -137.2 48.24 2.07 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 111.752 -2.224 . . . . 0.0 107.92 -175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 114.41 23.82 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.71 171.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.92 -26.11 1.29 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-N 112.12 -2.309 . . . . 0.0 108.161 -168.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.99 124.88 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 111.919 -2.141 . . . . 0.0 109.795 165.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -87.89 139.4 30.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 111.161 -2.745 . . . . 0.0 107.686 160.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.86 141.01 43.15 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 122.986 1.374 . . . . 0.0 111.153 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -107.57 142.49 37.41 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 110.127 -3.215 . . . . 0.0 106.572 166.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 123.73 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 112.947 -1.933 . . . . 0.0 106.415 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 151.83 22.42 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.463 -170.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -149.57 18.16 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 112.594 -1.803 . . . . 0.0 109.608 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -88.54 84.19 6.77 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 168.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.92 -30.59 6.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 112.059 -2.337 . . . . 0.0 111.571 -162.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 159.127 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.26 8.6 m-90 . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.02 -40.31 67.99 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 115.049 1.134 . . . . 0.0 115.049 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.07 -42.46 23.64 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.506 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.57 -59.21 3.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.087 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.85 -27.86 69.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.54 -1.209 . . . . 0.0 113.099 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -56.72 -39.49 74.01 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 117.665 -1.614 . . . . 0.0 112.339 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -53.32 8.8 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.387 1.054 . . . . 0.0 111.521 -175.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -75.13 -35.57 61.68 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.913 -1.494 . . . . 0.0 112.309 -169.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -75.82 -28.71 58.4 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.968 1.417 . . . . 0.0 111.477 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.29 -29.72 69.01 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 124.138 0.899 . . . . 0.0 111.671 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.4 mmt -69.24 -66.59 0.56 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.657 1.223 . . . . 0.0 109.063 164.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 144.55 44.91 0.04 OUTLIER Glycine 0 C--N 1.351 1.379 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.225 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -81.12 146.15 30.71 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.774 -1.713 . . . . 0.0 108.259 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.27 -45.65 17.55 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.1 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -145.03 146.81 32.04 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.527 1.142 . . . . 0.0 112.0 -163.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.9 t -123.3 113.97 39.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.688 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -87.95 147.2 40.34 Favored Pre-proline 0 C--N 1.36 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.723 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.59 179.19 0.19 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.693 2.262 . . . . 0.0 114.18 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.43 117.68 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 121.369 1.38 . . . . 0.0 109.304 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.81 70.17 1.33 Allowed Glycine 0 C--N 1.35 1.338 0 CA-C-N 113.356 -1.747 . . . . 0.0 110.746 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.48 40.31 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.023 -2.088 . . . . 0.0 109.502 -175.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.2 p -55.49 155.05 10.81 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 112.722 -2.036 . . . . 0.0 109.778 161.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.13 -11.13 9.95 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 120.566 0.844 . . . . 0.0 113.393 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.93 -29.79 70.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.563 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -71.82 -35.97 70.08 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.312 177.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.44 -36.1 39.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 126.024 2.078 . . . . 0.0 108.865 -170.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.8 mt -75.13 -39.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 111.382 -2.644 . . . . 0.0 110.455 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.41 63.97 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.169 1.543 . . . . 0.0 110.956 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -65.14 -52.29 56.04 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.412 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 12.1 ptp -66.88 -28.85 68.66 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.5 -57.0 12.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 114.451 -1.249 . . . . 0.0 109.373 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.15 -49.99 74.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 112.919 -1.946 . . . . 0.0 114.092 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.51 -47.07 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.279 -1.782 . . . . 0.0 112.145 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 63.6 mt -82.45 -4.63 57.78 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.93 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 73.9 0.93 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.66 165.3 14.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.299 -1.951 . . . . 0.0 107.025 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 113.342 -1.754 . . . . 0.0 108.315 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -100.68 109.75 21.81 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 112.635 -2.075 . . . . 0.0 106.396 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.595 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 24.1 m -89.48 137.21 32.52 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 125.497 1.748 . . . . 0.0 107.111 166.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.93 122.81 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 110.232 -3.167 . . . . 0.0 102.665 162.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.6 t -99.8 137.29 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.262 -3.608 . . . . 0.0 102.097 176.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 4.1 pp -132.23 129.29 39.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 116.572 -2.051 . . . . 0.0 107.851 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.59 145.14 15.93 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.503 163.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.72 120.67 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.455 HG23 ' SG ' ' A' ' 71' ' ' CYS . 3.4 tt -96.77 117.76 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 112.527 -2.124 . . . . 0.0 106.342 -169.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.145 0 CA-C-N 111.825 -2.443 . . . . 0.0 112.428 -171.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 m170 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -72.67 -33.21 66.38 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.155 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.16 -38.21 56.96 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.671 1.232 . . . . 0.0 110.369 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -34.25 77.91 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.019 -1.901 . . . . 0.0 110.041 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -73.97 -20.57 60.31 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.541 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.43 -0.45 37.22 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.696 0.622 . . . . 0.0 111.079 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.67 20.47 73.98 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.618 -171.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.94 155.54 19.45 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.691 -1.604 . . . . 0.0 106.847 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -77.77 109.25 11.62 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 165.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.0 112.16 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 113.518 -1.674 . . . . 0.0 108.956 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.83 110.57 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 110.747 -2.933 . . . . 0.0 104.903 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 97.77 10.97 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.99 -36.33 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.216 -165.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.99 -176.79 22.21 Favored Glycine 0 C--N 1.355 1.619 0 CA-C-N 114.063 -1.426 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.24 117.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 113.147 -1.526 . . . . 0.0 109.931 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.19 100.48 0.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.111 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.8 t -53.79 108.48 0.36 Allowed 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.768 1.292 . . . . 0.0 113.029 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.96 108.23 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 O-C-N 125.475 1.734 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -47.97 -51.61 23.01 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.802 -1.999 . . . . 0.0 111.625 160.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.26 -29.47 61.14 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.97 1.419 . . . . 0.0 112.784 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.18 -42.6 62.55 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -37.36 57.37 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.05 1.405 . . . . 0.0 112.846 -174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.7 -34.85 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 110.418 -3.083 . . . . 0.0 112.0 161.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.52 -35.17 73.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.909 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -64.07 -28.94 70.13 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 116.084 -1.912 . . . . 0.0 111.534 166.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.747 1.158 . . . . 0.0 113.831 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.2 -37.06 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.014 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -76.56 -50.93 12.67 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.36 -1.745 . . . . 0.0 112.373 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.595 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 1.2 t -83.78 -38.19 21.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.037 -170.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.3 mttp 83.25 84.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.765 0 CA-C-N 111.174 -2.739 . . . . 0.0 109.446 -164.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -79.92 134.54 36.29 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -90.35 -23.92 20.98 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.917 1.385 . . . . 0.0 110.312 159.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.316 2.7 pt? -140.46 144.97 36.35 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 123.116 1.436 . . . . 0.0 112.832 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.509 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 22.9 mt -128.04 118.68 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 110.592 -3.004 . . . . 0.0 107.111 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 8' ' ' LEU . 25.3 p -115.51 114.9 25.62 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.679 1.237 . . . . 0.0 111.434 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.08 121.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.396 -2.184 . . . . 0.0 106.638 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.4 t -115.27 112.79 22.97 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.968 1.417 . . . . 0.0 109.444 -176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 152.5 20.4 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.148 -1.842 . . . . 0.0 108.22 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.543 0.693 0 O-C-N 125.623 1.827 . . . . 0.0 110.587 -179.609 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 CA-C-O 122.413 1.007 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.85 -31.04 61.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.171 -2.015 . . . . 0.0 110.089 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mm -91.05 -44.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.861 -167.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -77.64 -56.11 4.79 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.318 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' A' ' 11' ' ' ILE . 13.1 m -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.239 1.587 . . . . 0.0 113.073 -158.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -69.4 131.12 44.29 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.282 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.499 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 93.68 18.75 36.89 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 112.707 -2.042 . . . . 0.0 112.338 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -75.54 -25.82 57.49 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.724 0.896 . . . . 0.0 111.196 157.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -58.57 -51.81 68.32 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.288 0.992 . . . . 0.0 109.402 172.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.44 27.5 tt0 -77.56 -26.26 50.72 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.342 29.4 ttmt -76.14 -29.21 57.72 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 125.175 1.547 . . . . 0.0 113.097 168.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.02 -35.85 56.66 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 122.98 1.371 . . . . 0.0 109.845 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.44 -43.83 98.17 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 110.78 -2.918 . . . . 0.0 110.31 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.306 0.0 OUTLIER -73.06 -30.02 63.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 110.256 -3.156 . . . . 0.0 112.391 -176.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 1.01 11.56 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.701 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.97 35.43 44.59 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 78.9 mt -141.0 54.35 1.57 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 111.597 -2.302 . . . . 0.0 107.761 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 115.22 27.16 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.521 -2.127 . . . . 0.0 108.726 172.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.92 -22.47 2.13 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 111.916 -2.402 . . . . 0.0 108.114 -167.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.16 124.94 24.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 111.956 -2.122 . . . . 0.0 109.359 167.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -88.92 148.86 23.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 111.197 -2.729 . . . . 0.0 108.049 159.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.509 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 57.1 mt -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.733 -170.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -107.73 153.24 23.24 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.182 -2.281 . . . . 0.0 106.887 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.25 123.84 34.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.26 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.72 152.1 18.14 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.248 -168.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 -146.27 18.13 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 113.35 -1.425 . . . . 0.0 112.14 167.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -85.45 75.92 10.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 112.658 -1.771 . . . . 0.0 107.822 169.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -24.92 28.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.359 -2.201 . . . . 0.0 111.39 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.352 0.71 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 171.049 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.301 3.0 m-90 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.62 -39.71 87.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 120.562 1.237 . . . . 0.0 114.301 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.01 -38.89 31.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.197 -2.274 . . . . 0.0 111.773 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.08 -44.93 27.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.697 1.248 . . . . 0.0 111.75 -169.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -70.87 -27.97 64.22 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.139 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -61.64 -42.36 98.78 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.632 169.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.96 -51.51 18.12 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.992 -1.458 . . . . 0.0 111.849 -169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -75.0 -32.45 61.65 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.289 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -78.13 -28.9 48.56 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.622 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.02 67.41 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.681 1.238 . . . . 0.0 110.719 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.499 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -74.55 -43.14 57.15 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.277 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.5 -41.59 0.24 Allowed Glycine 0 C--N 1.355 1.592 0 C-N-CA 119.187 -1.482 . . . . 0.0 112.835 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -49.52 146.44 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 122.387 1.089 . . . . 0.0 113.056 -171.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -79.32 -50.53 10.74 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 112.793 -2.003 . . . . 0.0 109.946 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -145.28 151.11 37.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.355 -164.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.0 t -123.34 122.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.721 1.888 . . . . 0.0 110.324 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -98.66 147.1 32.71 Favored Pre-proline 0 C--N 1.361 1.104 0 O-C-N 124.241 0.963 . . . . 0.0 111.242 165.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -66.04 -176.84 0.67 Allowed 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.302 2.002 . . . . 0.0 113.781 171.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.25 125.33 1.83 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.935 2.423 . . . . 0.0 110.635 164.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.91 48.71 6.41 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 137.66 32.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.881 -2.159 . . . . 0.0 108.804 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.566 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.5 OUTLIER -50.32 147.0 8.08 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.608 158.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.04 -13.81 8.89 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 O-C-N 122.878 0.936 . . . . 0.0 113.346 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.67 -29.67 69.74 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.566 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -66.22 -40.22 90.14 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.872 -1.513 . . . . 0.0 112.489 176.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.9 m -79.43 -34.97 41.19 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 126.077 2.111 . . . . 0.0 109.341 -170.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -41.78 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.919 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.45 -31.73 63.97 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.09 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.82 -47.48 77.84 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 116.78 -1.968 . . . . 0.0 112.453 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 13.6 ptp -68.42 -28.89 67.48 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.43 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.67 -53.36 55.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.134 0.968 . . . . 0.0 109.722 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.07 -51.71 68.89 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.3 -2.227 . . . . 0.0 113.938 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.95 -39.37 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.257 -174.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.9 mt -86.46 -5.49 59.15 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.442 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.22 72.34 0.99 Allowed Glycine 0 C--N 1.355 1.615 0 O-C-N 124.491 1.119 . . . . 0.0 110.755 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.0 t -138.43 154.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 CA-C-N 112.383 -1.908 . . . . 0.0 107.779 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 111.669 -2.514 . . . . 0.0 109.346 -168.289 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.95 109.78 21.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.814 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -93.28 142.06 27.74 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 111.476 -2.602 . . . . 0.0 106.857 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 57' ' ' LEU . 1.1 mt -124.92 149.34 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.685 0 CA-C-N 109.851 -3.34 . . . . 0.0 103.557 173.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -130.04 125.38 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 CA-C-N 109.097 -3.683 . . . . 0.0 103.068 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.5 129.23 52.8 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 162.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.11 15.93 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.477 -2.147 . . . . 0.0 107.809 166.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.8 t -98.03 120.72 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -96.85 140.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 111.738 -2.483 . . . . 0.0 109.569 -169.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.105 0 CA-C-N 110.355 -3.111 . . . . 0.0 108.21 -174.377 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 m80 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.129 0.49 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -63.18 -46.83 85.27 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.977 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.78 -39.35 66.82 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 125.061 1.476 . . . . 0.0 109.373 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -24.77 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 111.795 -2.457 . . . . 0.0 111.779 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -114.03 25.71 10.92 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.583 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.5 6.04 49.57 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.55 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.89 25.64 74.4 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.767 -1.561 . . . . 0.0 111.308 -172.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.421 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -99.78 161.09 13.82 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.99 107.19 13.59 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 161.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 15.0 t -127.11 139.15 52.71 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 114.219 -1.355 . . . . 0.0 108.027 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.52 110.69 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 111.382 -2.644 . . . . 0.0 106.728 -170.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.93 97.64 10.35 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.55 -1.659 . . . . 0.0 106.847 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -42.15 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 112.769 -2.014 . . . . 0.0 111.413 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.65 129.73 1.15 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 116.117 -2.945 . . . . 0.0 112.412 -171.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.58 142.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.746 -2.227 . . . . 0.0 106.964 165.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.91 56.42 0.22 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 125.338 1.648 . . . . 0.0 107.78 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 m -156.91 -169.76 3.07 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 111.556 -2.566 . . . . 0.0 107.504 -163.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -161.72 170.82 18.95 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 123.102 1.43 . . . . 0.0 111.683 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.25 -28.88 12.86 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 110.972 -2.831 . . . . 0.0 116.852 -169.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.49 -37.16 84.91 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.321 1.013 . . . . 0.0 111.497 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.46 -23.26 30.0 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.104 -1.862 . . . . 0.0 111.448 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -76.45 -32.98 58.75 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-O 123.302 1.525 . . . . 0.0 113.037 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 ' SG ' ' A' ' 78' ' ' CYS . 1.3 mt -49.69 -48.06 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 109.935 -3.302 . . . . 0.0 109.685 160.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.94 -28.82 67.8 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.026 1.454 . . . . 0.0 112.945 -174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.88 61.59 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.891 0.744 . . . . 0.0 110.983 172.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.46 64.57 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 115.198 -2.601 . . . . 0.0 112.375 168.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.65 -40.4 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.025 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -77.04 -50.49 12.98 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.809 -1.541 . . . . 0.0 112.787 -169.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -99.13 -28.74 13.23 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 125.472 1.732 . . . . 0.0 114.022 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 93.47 63.61 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 O-C-N 126.009 2.068 . . . . 0.0 110.98 170.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 134.19 33.82 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 110.36 -3.109 . . . . 0.0 111.505 -172.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -89.72 -31.8 17.3 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.661 168.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CB ' HG22 ' A' ' 6' ' ' ILE . 3.1 mp -91.73 136.43 33.15 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.457 169.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.437 HD12 ' SG ' ' A' ' 78' ' ' CYS . 53.5 mt -132.18 124.2 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 110.001 -3.272 . . . . 0.0 108.242 156.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.0 m -115.14 114.76 25.72 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.408 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.92 121.59 53.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 112.367 -2.197 . . . . 0.0 105.687 177.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.16 112.83 23.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.012 -1.904 . . . . 0.0 108.217 -172.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 m -101.38 133.11 46.48 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.901 -165.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.351 0.653 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.896 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.5 -27.97 69.52 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 112.608 -1.796 . . . . 0.0 112.005 170.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 -44.49 16.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.525 -173.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.45 -56.32 4.64 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.99 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 m -59.33 -25.97 64.64 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.466 -165.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -59.22 111.73 1.46 Allowed 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.656 1.222 . . . . 0.0 111.931 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 33.11 32.68 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 112.143 -2.299 . . . . 0.0 111.289 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 tp -75.78 -32.38 59.89 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 125.482 1.342 . . . . 0.0 112.914 164.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -47.78 83.41 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.106 174.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.465 15.7 tt0 -77.44 -26.3 51.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 175.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.309 62.1 tttp -75.99 -29.07 58.07 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 125.011 1.444 . . . . 0.0 113.064 169.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 58' ' ' ILE . 87.5 m -77.32 -41.75 39.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 125.095 1.497 . . . . 0.0 110.751 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.64 -45.91 84.85 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 110.115 -3.22 . . . . 0.0 108.463 171.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.295 35.9 mt-10 -73.05 -29.59 63.08 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 110.343 -3.117 . . . . 0.0 112.548 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.68 4.5 4.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.566 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.13 35.14 15.8 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.299 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -100.24 -116.63 0.16 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.795 -1.702 . . . . 0.0 107.361 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.262 6.8 mptt -108.94 -157.28 0.61 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-O 122.97 1.367 . . . . 0.0 110.67 -175.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.04 53.21 1.06 Allowed Glycine 0 N--CA 1.437 -1.297 1 N-CA-C 102.107 -4.397 . . . . 0.0 102.107 152.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.462 ' H ' ' C ' ' A' ' 84' ' ' LYS 0.308 3.7 tt -63.65 124.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 109.749 -3.225 . . . . 0.0 110.71 -166.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -88.01 117.02 26.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 109.857 -3.338 . . . . 0.0 108.385 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.5 143.33 44.7 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 111.796 -2.456 . . . . 0.0 108.205 -173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -107.9 143.03 37.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 110.602 -2.999 . . . . 0.0 105.602 169.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.12 123.59 34.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.66 152.02 23.53 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 118.277 -1.916 . . . . 0.0 113.219 -164.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.08 90.7 0.23 Allowed Glycine 0 C--N 1.353 1.481 0 CA-C-N 110.972 -2.614 . . . . 0.0 112.38 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 52.52 70.51 0.56 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 125.376 1.28 . . . . 0.0 111.748 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -103.33 -45.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.015 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.359 0.996 0 O-C-N 124.927 1.392 . . . . 0.0 113.325 172.644 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.509 1.5 m-90 . . . . . 0 C--O 1.221 -0.413 0 N-CA-C 121.109 3.744 . . . . 0.0 121.109 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.55 -31.67 32.26 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 CA-C-N 120.955 1.377 . . . . 0.0 115.514 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -80.06 -45.51 18.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 112.779 -2.01 . . . . 0.0 111.575 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.53 -55.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 124.775 1.297 . . . . 0.0 110.829 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.28 -45.59 72.52 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.666 1.229 . . . . 0.0 112.53 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -55.54 -49.4 72.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 119.054 -1.058 . . . . 0.0 112.391 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -78.06 -53.0 7.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 113.268 -1.787 . . . . 0.0 112.09 -168.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.84 -46.01 86.99 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.238 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -72.23 -33.43 67.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 113.816 -1.538 . . . . 0.0 112.066 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.79 92.89 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.689 1.243 . . . . 0.0 112.273 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -1.62 58.08 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.725 -174.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.13 -75.8 0.08 OUTLIER Glycine 0 C--N 1.354 1.533 0 C-N-CA 118.458 -1.83 . . . . 0.0 111.724 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -48.85 146.12 3.43 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 123.023 1.392 . . . . 0.0 113.735 -163.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -59.09 2.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 111.553 -2.567 . . . . 0.0 109.316 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -145.12 154.89 42.94 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.838 -1.528 . . . . 0.0 109.742 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.29 136.93 58.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.452 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.34 116.77 66.79 Favored Pre-proline 0 C--N 1.358 0.951 0 O-C-N 124.429 1.081 . . . . 0.0 111.688 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.18 127.69 26.7 Favored 'Trans proline' 0 C--N 1.373 1.854 0 O-C-N 123.165 1.087 . . . . 0.0 112.399 164.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.3 112.87 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 121.13 1.22 . . . . 0.0 111.372 -170.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.47 -6.14 3.56 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-N 111.947 -2.388 . . . . 0.0 111.709 -169.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 m -76.03 137.02 39.95 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 121.879 0.847 . . . . 0.0 109.537 -179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.6 ' HG ' ' H ' ' A' ' 125' ' ' THR . 6.2 p -69.55 162.56 66.18 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 112.397 -2.183 . . . . 0.0 109.345 171.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -80.81 -9.94 13.06 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 120.708 0.939 . . . . 0.0 113.985 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -29.85 69.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 124.015 0.822 . . . . 0.0 110.399 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.6 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.6 OUTLIER -72.56 -34.65 67.65 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 113.682 -1.599 . . . . 0.0 112.601 175.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.4 m -79.7 -33.21 41.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 126.678 2.486 . . . . 0.0 109.023 -172.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.15 -37.69 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 112.138 -2.301 . . . . 0.0 109.785 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.85 64.37 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.947 -1.478 . . . . 0.0 110.925 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -61.6 -55.27 32.54 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.505 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 6' ' ' ILE . 20.2 ptp -63.7 -39.77 95.14 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.311 1.007 . . . . 0.0 111.493 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.88 -55.34 23.46 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.471 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.04 -34.26 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.27 -1.332 . . . . 0.0 114.137 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.63 -39.17 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.421 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.5 mt -91.5 7.88 39.13 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 124.07 0.856 . . . . 0.0 111.866 -169.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 82.43 52.41 3.98 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.285 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.57 165.11 10.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 112.203 -1.998 . . . . 0.0 106.259 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 CA--C 1.548 0.902 0 O-C-N 124.596 1.185 . . . . 0.0 111.271 174.22 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.07 116.66 32.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.044 -1.889 . . . . 0.0 107.952 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -90.94 134.93 34.08 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 112.592 -2.095 . . . . 0.0 106.853 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 149.47 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 C-N-CA 130.318 3.447 . . . . 0.0 103.828 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.272 1.6 t -124.67 143.07 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 CA-C-N 108.723 -3.853 . . . . 0.0 104.144 -175.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.1 pp -132.23 128.78 38.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 115.136 -2.625 . . . . 0.0 110.187 156.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.94 143.3 14.8 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 111.493 -2.594 . . . . 0.0 108.228 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.68 121.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 117.257 -1.777 . . . . 0.0 106.568 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -105.54 127.52 60.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.766 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.099 0 CA-C-N 112.632 -2.076 . . . . 0.0 109.199 179.722 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -157.37 18.37 0.28 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.832 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.19 -44.51 1.59 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.751 -1.568 . . . . 0.0 106.965 154.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -32.54 74.07 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.017 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -76.65 11.0 1.83 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.419 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 -0.46 50.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.152 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.32 30.01 67.64 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.059 -168.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.45 153.37 18.52 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 118.721 -1.192 . . . . 0.0 107.836 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.77 104.71 9.57 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 165.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.09 129.22 75.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.49 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.85 110.99 29.02 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.586 -165.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -86.01 117.37 24.81 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.831 -1.986 . . . . 0.0 108.648 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.82 -37.54 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 111.25 -2.704 . . . . 0.0 110.092 -172.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.82 -171.54 15.1 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.072 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -109.11 132.07 58.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 112.696 -1.752 . . . . 0.0 109.009 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -163.97 -132.12 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.386 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -179.5 76.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 160.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -167.66 104.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.834 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.4 -28.95 70.14 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 112.021 -2.354 . . . . 0.0 114.636 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.47 -16.94 64.15 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 125.081 1.488 . . . . 0.0 111.962 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -83.66 -37.5 22.72 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . 0.255 0.0 OUTLIER -76.07 -27.65 57.32 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 118.472 -1.291 . . . . 0.0 113.306 -178.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -55.31 -41.12 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-N 111.045 -2.798 . . . . 0.0 112.391 158.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -69.4 -28.96 66.62 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.083 0.864 . . . . 0.0 110.869 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.65 -28.83 62.97 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.008 167.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.38 -30.37 68.35 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 115.833 -2.347 . . . . 0.0 113.792 168.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.18 -42.57 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.931 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -77.05 -50.39 13.2 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.885 -168.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.8 p -93.74 -27.05 16.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.092 -171.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.6 mttt 100.01 44.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 126.544 2.402 . . . . 0.0 110.056 167.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.0 122.93 18.17 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.525 -2.58 . . . . 0.0 110.562 -174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.75 -22.66 34.3 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 126.333 2.271 . . . . 0.0 109.033 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 2.4 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 123.367 1.556 . . . . 0.0 112.925 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.507 HD12 ' SG ' ' A' ' 78' ' ' CYS . 33.4 mt -123.64 112.39 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 110.283 -3.144 . . . . 0.0 108.127 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 53.0 t -115.1 114.51 25.43 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 125.227 1.579 . . . . 0.0 109.814 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.18 148.17 7.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.2 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.87 112.72 25.81 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.737 -2.029 . . . . 0.0 106.754 164.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.6 p -100.98 122.11 42.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.634 -2.075 . . . . 0.0 107.47 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.95 179.549 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -80.22 -31.79 38.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.904 -1.648 . . . . 0.0 111.402 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.172 -166.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -77.08 -53.19 8.09 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.675 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 97.4 m -55.27 -25.85 36.42 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.962 1.414 . . . . 0.0 114.68 -168.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.56 111.68 1.69 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 123.917 0.761 . . . . 0.0 109.544 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.55 27.41 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 113.221 -1.808 . . . . 0.0 112.0 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -33.67 60.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.625 0.838 . . . . 0.0 110.894 158.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -60.48 -39.67 88.49 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 124.694 1.246 . . . . 0.0 109.918 167.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.277 22.6 mt-10 -77.63 -26.57 50.62 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 14.1 mptt -76.37 -29.4 57.15 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 125.651 1.844 . . . . 0.0 112.729 166.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.507 ' SG ' HD12 ' A' ' 58' ' ' ILE . 94.8 m -77.05 -37.05 55.47 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 125.418 1.699 . . . . 0.0 110.923 173.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.77 -42.5 86.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 110.393 -3.094 . . . . 0.0 109.338 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.313 24.4 mm-40 -73.26 -29.79 63.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 109.787 -3.369 . . . . 0.0 113.046 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.5 23.78 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.385 -1.734 . . . . 0.0 112.878 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 39.13 34.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -141.37 33.23 1.68 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 111.623 -2.288 . . . . 0.0 109.987 -170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -75.6 115.09 14.91 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.145 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.14 -29.74 0.98 Allowed Glycine 0 C--N 1.345 1.08 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.802 -172.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.9 124.94 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 111.746 -2.227 . . . . 0.0 110.814 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.85 138.53 31.37 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 109.23 -3.623 . . . . 0.0 107.598 171.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 ' HB ' ' A' ' 58' ' ' ILE . 22.0 mt -123.09 133.38 54.3 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.55 -166.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -107.69 137.44 45.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 109.786 -3.37 . . . . 0.0 107.659 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.19 123.96 34.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.867 -1.969 . . . . 0.0 107.505 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.2 150.79 20.09 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 119.415 -1.374 . . . . 0.0 113.703 -164.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.66 -130.51 9.84 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-N 110.661 -2.77 . . . . 0.0 110.913 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -87.48 79.82 8.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.249 -1.476 . . . . 0.0 109.846 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.9 pt -79.48 -35.26 16.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.138 -2.301 . . . . 0.0 110.939 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--N 1.35 0.605 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -178.749 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.581 1.4 m-90 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 119.787 3.254 . . . . 0.0 119.787 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.55 -37.68 34.36 Favored 'Trans proline' 0 CA--C 1.554 1.491 0 CA-C-N 120.973 1.383 . . . . 0.0 114.85 168.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.26 -45.33 18.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.833 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.8 t -75.14 -36.01 36.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 124.563 1.164 . . . . 0.0 111.283 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.12 -34.26 63.84 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.169 173.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.37 -37.87 79.02 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.504 -1.279 . . . . 0.0 111.324 171.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -73.27 -53.03 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.984 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.09 -43.83 50.76 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.458 -169.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -71.25 -28.69 64.35 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.199 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.91 71.95 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.423 1.077 . . . . 0.0 112.515 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.7 mmt -66.72 -41.08 88.52 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.939 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.88 -14.98 0.34 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.141 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -50.98 129.73 24.2 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 122.512 1.149 . . . . 0.0 112.73 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -42.46 78.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 111.576 -2.556 . . . . 0.0 110.526 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -145.25 136.7 25.17 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.008 -1.905 . . . . 0.0 108.658 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.31 113.63 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.886 1.366 . . . . 0.0 109.812 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.56 133.57 23.49 Favored Pre-proline 0 N--CA 1.481 1.118 0 O-C-N 124.546 1.154 . . . . 0.0 112.382 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.76 177.63 2.2 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 121.471 1.447 . . . . 0.0 114.905 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.55 121.06 9.26 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.108 1.872 . . . . 0.0 113.915 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.11 4.81 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.449 -1.705 . . . . 0.0 112.575 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -102.13 137.1 40.85 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.91 -1.645 . . . . 0.0 108.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.417 ' HG ' ' H ' ' A' ' 125' ' ' THR . 5.8 p -63.19 134.88 95.98 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-N 113.734 -1.575 . . . . 0.0 109.485 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.27 9.9 Cg_endo -69.92 -9.16 25.38 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 121.33 1.353 . . . . 0.0 115.369 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.77 -29.65 70.84 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.314 164.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.417 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -65.11 -31.64 72.94 Favored 'General case' 0 CA--C 1.501 -0.935 0 O-C-N 123.96 0.788 . . . . 0.0 112.255 169.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.2 m -79.35 -30.93 42.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 126.242 2.214 . . . . 0.0 108.792 -173.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.42 -38.55 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 O-C-N 125.877 1.986 . . . . 0.0 110.109 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.85 66.61 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.462 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -65.14 -55.36 19.16 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 115.931 -2.308 . . . . 0.0 113.205 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -73.61 -28.95 62.08 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 112.204 -170.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -68.36 -57.23 6.22 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.993 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -66.07 -37.18 85.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.131 -1.395 . . . . 0.0 114.017 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.92 -39.07 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 114.425 -1.261 . . . . 0.0 112.442 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.3 mt -86.62 5.73 34.4 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.153 0.908 . . . . 0.0 112.356 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.65 61.39 2.94 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 122.113 0.84 . . . . 0.0 111.299 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -151.79 160.95 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 112.097 -2.051 . . . . 0.0 106.9 -173.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 CA--C 1.541 0.616 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.077 176.393 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--O 1.225 -0.226 0 CA-C-O 123.511 1.624 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.41 110.62 21.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 109.413 -3.54 . . . . 0.0 109.002 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 m -82.14 115.95 21.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.678 -2.055 . . . . 0.0 107.805 170.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.78 137.32 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 104.416 -2.439 . . . . 0.0 104.416 161.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.29 1.3 t -130.13 116.76 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.941 1 CA-C-N 108.112 -4.131 . . . . 0.0 102.98 -168.023 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -130.98 129.38 42.02 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 117.19 -1.804 . . . . 0.0 109.313 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.65 145.52 16.05 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 126.574 2.421 . . . . 0.0 108.466 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.69 125.41 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.5 117.88 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 112.652 -2.067 . . . . 0.0 106.213 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.166 0 CA-C-N 110.027 -3.261 . . . . 0.0 109.561 -173.428 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 C--O 1.222 -0.368 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -87.04 62.72 7.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.579 167.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -175.97 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.439 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -44.93 94.09 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 112.576 -2.102 . . . . 0.0 110.32 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -89.37 25.12 2.01 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 112.467 -2.152 . . . . 0.0 111.33 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 7.72 45.8 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.289 167.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.04 25.36 64.39 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-N 113.837 -1.529 . . . . 0.0 111.609 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.01 149.76 27.21 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -77.93 104.63 8.6 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 163.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -121.58 134.49 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 112.606 -2.088 . . . . 0.0 107.187 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.81 135.69 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 111.151 -2.749 . . . . 0.0 106.304 -171.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -104.12 106.34 16.81 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.072 -1.876 . . . . 0.0 106.783 171.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -23.73 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.953 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.06 179.35 21.98 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.336 173.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -92.5 117.93 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 111.612 -2.294 . . . . 0.0 108.482 -174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.39 139.52 3.96 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 112.934 -1.939 . . . . 0.0 106.587 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.31 73.52 5.93 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.186 171.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -170.38 121.74 0.63 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 118.053 -1.459 . . . . 0.0 114.182 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -47.89 -55.14 10.53 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 114.909 164.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -64.71 -18.16 64.76 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.763 -172.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.42 -37.63 36.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.799 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -37.72 57.12 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.328 1.537 . . . . 0.0 112.218 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.67 -37.05 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.497 -3.501 . . . . 0.0 111.955 160.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -66.7 -28.81 68.74 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.344 1.028 . . . . 0.0 112.223 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.26 61.3 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -30.32 69.94 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 116.695 -2.002 . . . . 0.0 113.744 161.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -68.42 -42.6 84.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.04 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 -50.24 13.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 124.322 1.014 . . . . 0.0 109.986 -171.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -13.4 18.6 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 126.299 2.249 . . . . 0.0 114.045 -167.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 75.95 72.63 0.08 Allowed 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.955 1.409 . . . . 0.0 110.186 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 144.48 55.11 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 110.973 -2.83 . . . . 0.0 112.297 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.3 -33.0 16.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.264 152.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.3 2.7 pt? -140.53 144.95 36.23 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.037 1.398 . . . . 0.0 113.739 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.414 ' HB ' HD21 ' A' ' 88' ' ' LEU . 49.0 mt -122.9 110.93 27.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.926 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.1 t -115.31 114.71 25.53 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.284 -173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 m -97.86 148.26 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.599 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.31 112.85 24.39 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.561 -2.108 . . . . 0.0 108.348 176.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 m -100.88 119.13 38.23 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.521 -175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-N 112.004 -2.362 . . . . 0.0 108.564 175.461 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 CA-C-O 122.681 1.156 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -79.79 -29.57 40.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 111.083 -2.558 . . . . 0.0 111.414 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.08 -40.46 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 113.438 -1.71 . . . . 0.0 109.807 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.6 -52.33 65.63 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.34 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.548 ' SG ' ' CE2' ' A' ' 108' ' ' PHE . 26.0 p -71.33 -35.49 71.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.855 -170.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HZ1' ' HG3' ' A' ' 111' ' ' MET . 28.0 mmmt -69.26 111.92 5.5 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.085 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.55 14.5 75.88 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 112.544 -2.116 . . . . 0.0 113.424 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -75.78 -30.0 58.95 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 159.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 117.659 -1.616 . . . . 0.0 109.52 172.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.366 32.2 tt0 -77.69 -26.67 50.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 118.461 2.763 . . . . 0.0 118.461 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 60.8 mtpt -76.58 -29.57 56.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.981 1.426 . . . . 0.0 112.818 165.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.415 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 27.1 t -77.61 -29.18 51.76 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 125.253 1.596 . . . . 0.0 112.23 173.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.32 -45.29 63.35 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.688 -2.96 . . . . 0.0 109.215 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.308 24.8 mm-40 -73.11 -29.65 63.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 109.297 -3.592 . . . . 0.0 112.39 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 0.82 12.01 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.801 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.2 33.51 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.3 mt -138.56 32.14 2.29 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 112.038 -2.081 . . . . 0.0 109.631 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 113.06 11.59 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.598 174.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.94 -29.52 0.6 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.783 -2.462 . . . . 0.0 107.979 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.7 mp -64.89 127.15 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 111.7 -2.25 . . . . 0.0 110.172 167.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.97 137.39 32.37 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 110.121 -3.218 . . . . 0.0 108.495 160.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.414 HD21 ' HB ' ' A' ' 58' ' ' ILE . 17.8 mt -109.94 136.67 48.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.063 1.411 . . . . 0.0 111.087 -176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.75 148.32 29.62 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 110.754 -2.93 . . . . 0.0 107.839 167.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -136.08 127.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 112.81 -1.995 . . . . 0.0 107.852 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.01 144.1 13.78 Favored Glycine 0 C--N 1.353 1.486 0 C-N-CA 119.359 -1.401 . . . . 0.0 112.562 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.59 -142.52 17.3 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 112.201 -1.999 . . . . 0.0 110.728 172.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.75 81.3 5.8 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.832 -1.684 . . . . 0.0 107.571 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.03 -24.59 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-N 112.747 -2.024 . . . . 0.0 110.732 -166.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.351 0.634 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 167.213 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.347 1.7 m-90 . . . . . 0 CA--C 1.559 1.311 0 N-CA-C 119.68 3.215 . . . . 0.0 119.68 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.08 -51.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.104 0 CA-C-N 122.123 1.794 . . . . 0.0 111.273 164.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.32 -29.98 38.1 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.07 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.91 -46.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 124.575 1.172 . . . . 0.0 110.514 -170.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -68.63 -40.67 80.19 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.117 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -59.77 -46.2 89.92 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.597 1.185 . . . . 0.0 111.598 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -76.95 -53.02 8.38 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.634 -1.621 . . . . 0.0 110.576 -170.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 12.6 m-30 -70.4 -41.4 73.05 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.448 -1.705 . . . . 0.0 111.562 -168.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -77.19 -38.29 51.82 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.665 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.19 69.76 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.365 1.041 . . . . 0.0 112.115 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.418 ' HG3' ' HZ1' ' A' ' 72' ' ' LYS . 77.2 mmm -71.0 -54.57 10.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.607 173.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.15 17.95 0.02 OUTLIER Glycine 0 C--N 1.356 1.644 0 C-N-CA 117.559 -2.258 . . . . 0.0 115.166 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 145.55 30.95 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 122.801 1.286 . . . . 0.0 108.867 169.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -78.29 -57.6 3.7 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 111.583 -2.553 . . . . 0.0 109.446 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.26 152.89 40.66 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 125.092 1.495 . . . . 0.0 110.743 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.29 120.2 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 111.974 -2.375 . . . . 0.0 110.398 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -95.6 116.96 66.68 Favored Pre-proline 0 C--N 1.358 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 110.547 170.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -57.29 169.46 2.15 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 120.92 1.08 . . . . 0.0 114.865 167.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -74.37 118.2 5.27 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 120.889 1.059 . . . . 0.0 110.551 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.98 11.51 10.95 Favored Glycine 0 CA--C 1.536 1.362 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.7 m -81.86 137.11 35.3 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 122.42 1.105 . . . . 0.0 109.432 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' A' ' 125' ' ' THR . 3.2 p -59.93 164.99 5.15 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 111.598 -2.546 . . . . 0.0 109.987 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.13 -10.91 10.03 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 121.317 1.344 . . . . 0.0 113.279 170.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.13 -29.84 60.64 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.268 0.98 . . . . 0.0 110.953 -174.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.646 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -68.56 -35.91 78.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.645 173.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 m -79.45 -31.34 42.49 Favored 'General case' 0 N--CA 1.44 -0.969 0 O-C-N 126.708 2.505 . . . . 0.0 109.004 -171.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.91 -41.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 126.549 2.405 . . . . 0.0 110.318 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.512 -1.676 . . . . 0.0 110.314 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -65.93 -49.06 69.31 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 112.232 -2.258 . . . . 0.0 112.677 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.6 ptp -69.19 -28.96 66.86 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 118.993 -1.083 . . . . 0.0 111.808 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.94 -57.24 5.26 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 118.295 -1.362 . . . . 0.0 110.08 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.464 ' CG ' ' H ' ' A' ' 133' ' ' VAL . 12.1 pt-20 -52.3 -51.36 59.03 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.004 1.44 . . . . 0.0 113.213 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.464 ' H ' ' CG ' ' A' ' 132' ' ' GLU . 39.6 t -56.78 -47.24 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 110.618 -2.992 . . . . 0.0 112.39 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.3 mt -93.8 13.11 23.47 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.195 0.934 . . . . 0.0 112.19 -170.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 57.17 4.45 Favored Glycine 0 C--N 1.354 1.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.131 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.49 2.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 112.591 -1.805 . . . . 0.0 113.311 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.549 0.908 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.589 -179.375 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 123.339 1.542 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.71 109.91 21.8 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 109.445 -3.525 . . . . 0.0 107.582 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 55' ' ' ALA . 23.5 m -94.85 119.05 32.78 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 110.907 -2.861 . . . . 0.0 106.943 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.34 144.9 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 C-N-CA 129.117 2.967 . . . . 0.0 104.623 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.267 2.0 t -130.05 130.88 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 108.871 -3.786 . . . . 0.0 104.54 -171.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -132.39 129.4 39.31 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.418 -1.313 . . . . 0.0 109.174 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.09 145.19 15.82 Favored Glycine 0 C--N 1.358 1.802 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.461 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.57 120.93 50.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -96.45 117.73 41.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.089 -157.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.58 0 CA-C-N 111.842 -2.435 . . . . 0.0 112.393 172.522 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 122.162 0.982 . . . . 0.0 109.165 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.2 p -137.1 -50.22 0.64 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.895 -168.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -68.78 -47.76 65.39 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.302 -2.226 . . . . 0.0 108.79 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -43.64 98.46 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.005 -1.907 . . . . 0.0 110.126 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 24.37 0.92 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.123 -2.308 . . . . 0.0 112.271 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 5.16 28.93 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.571 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.72 26.78 70.58 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.538 -173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -98.46 153.34 18.67 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -78.0 104.82 8.81 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.14 123.21 67.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.094 -1.866 . . . . 0.0 108.203 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.93 114.77 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 111.027 -2.806 . . . . 0.0 107.226 -173.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.8 105.04 16.03 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 112.824 -1.989 . . . . 0.0 107.327 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -35.33 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 CA-C-N 112.881 -1.963 . . . . 0.0 108.067 168.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.67 -150.04 44.21 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 111.921 -2.4 . . . . 0.0 111.942 163.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.21 170.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 110.94 -2.63 . . . . 0.0 109.633 -169.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt 74.11 40.19 0.46 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.998 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.89 166.59 1.23 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.322 -169.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -144.2 -167.81 2.71 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.437 -2.165 . . . . 0.0 108.368 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.06 65.71 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -165.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.31 -35.11 80.0 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 125.282 1.614 . . . . 0.0 111.465 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.0 -16.82 29.04 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.749 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -76.63 -37.17 56.79 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.671 1.701 . . . . 0.0 111.927 174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.84 -41.56 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 109.382 -3.554 . . . . 0.0 111.275 158.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -67.53 -28.76 68.08 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.246 0.966 . . . . 0.0 112.58 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.87 63.15 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.87 0.732 . . . . 0.0 110.496 168.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.44 67.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 115.745 -2.382 . . . . 0.0 113.369 167.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.43 -37.63 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.09 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -76.94 -50.45 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.2 -1.364 . . . . 0.0 112.176 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -98.89 -27.6 13.83 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 125.604 1.815 . . . . 0.0 114.53 -172.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 90.76 63.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 125.735 1.897 . . . . 0.0 109.82 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 86' ' ' ILE . . . -89.05 122.39 32.34 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 110.969 -2.832 . . . . 0.0 110.68 -172.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . 24.0 m-20 -87.1 -14.85 40.22 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 126.181 2.176 . . . . 0.0 109.417 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.47 144.39 46.38 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 124.397 2.046 . . . . 0.0 111.636 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.505 HD11 ' SG ' ' A' ' 78' ' ' CYS . 24.1 mt -131.71 125.62 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 108.664 -3.88 . . . . 0.0 107.853 -176.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -115.02 141.2 48.32 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 111.146 -2.752 . . . . 0.0 109.545 -176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.48 140.36 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 111.952 -2.385 . . . . 0.0 106.743 163.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.43 112.87 22.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 170.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -133.48 164.12 27.85 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 123.554 1.645 . . . . 0.0 111.86 -158.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 109.419 -3.537 . . . . 0.0 111.854 -166.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.532 1.106 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.12 -27.83 39.08 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.11 -1.045 . . . . 0.0 111.869 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.8 mm -83.92 -44.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.895 -1.502 . . . . 0.0 111.248 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -77.23 -39.61 47.87 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.434 1.084 . . . . 0.0 111.767 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.462 ' SG ' ' SD ' ' A' ' 111' ' ' MET . 23.0 p -59.68 -25.77 65.02 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.677 1.235 . . . . 0.0 113.95 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.35 111.74 2.13 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.363 -168.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.79 46.4 17.98 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 112.612 -2.086 . . . . 0.0 111.64 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 HD21 ' SG ' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -75.84 -32.33 59.74 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.822 0.954 . . . . 0.0 112.935 169.153 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.81 -43.41 88.74 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.266 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.509 0.5 OUTLIER -77.32 -26.26 51.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 N-CA-C 118.548 2.796 . . . . 0.0 118.548 176.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.373 46.6 tttp -76.02 -28.89 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.787 1.93 . . . . 0.0 112.683 167.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 58' ' ' ILE . 98.7 m -69.96 -47.38 62.53 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 123.854 1.788 . . . . 0.0 110.136 170.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.4 -38.64 77.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 108.417 -3.992 . . . . 0.0 110.426 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.319 0.1 OUTLIER -73.25 -35.16 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 110.768 -2.924 . . . . 0.0 112.444 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.18 3.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 111.93 -2.396 . . . . 0.0 112.741 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.44 16.41 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.057 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.56 -167.32 1.73 Allowed 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.087 -2.057 . . . . 0.0 106.265 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.28 25.5 mmmt -69.69 -172.82 0.53 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 112.459 -2.155 . . . . 0.0 113.393 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.81 48.25 2.03 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 103.187 -3.965 . . . . 0.0 103.187 159.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' A' ' 84' ' ' LYS 0.252 0.2 OUTLIER -63.75 136.53 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.98 0 CA-C-N 108.687 -3.756 . . . . 0.0 107.134 -165.922 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -87.72 123.97 33.1 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 109.387 -3.552 . . . . 0.0 109.333 -159.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.0 mt -117.26 140.11 49.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.377 -159.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -107.77 141.35 39.46 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 110.014 -3.266 . . . . 0.0 107.143 173.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 123.88 34.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.547 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.09 21.1 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-N 113.747 -1.57 . . . . 0.0 112.29 -167.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.48 -149.45 19.25 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 111.634 -2.283 . . . . 0.0 110.411 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.02 115.95 22.07 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 112.514 -1.843 . . . . 0.0 107.487 172.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.6 pt -137.05 -22.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 CA-C-N 113.457 -1.701 . . . . 0.0 111.691 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.356 0.848 0 CA-C-O 123.035 1.398 . . . . 0.0 108.261 167.616 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.601 2.8 m-90 . . . . . 0 CA--C 1.536 0.434 0 N-CA-C 118.515 2.784 . . . . 0.0 118.515 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.99 -38.97 32.46 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 CA-C-N 120.663 1.273 . . . . 0.0 114.758 167.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.21 -44.54 19.57 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 112.926 -1.943 . . . . 0.0 111.983 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.01 -59.12 4.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 124.378 1.049 . . . . 0.0 110.138 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.6 -27.97 69.57 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 125.121 1.513 . . . . 0.0 113.093 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.49 -50.05 74.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.479 171.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -68.19 -45.79 72.43 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 112.997 -1.91 . . . . 0.0 111.864 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -75.15 -28.88 60.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.735 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -68.59 -32.34 72.17 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.762 172.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.94 64.53 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.212 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.462 ' SD ' ' SG ' ' A' ' 71' ' ' CYS . 58.9 mtt -70.77 -31.88 68.81 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.203 0.939 . . . . 0.0 110.777 173.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.88 23.77 6.04 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.457 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -81.17 115.83 20.78 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 163.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.274 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -145.06 135.55 24.27 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 109.583 -171.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.27 113.91 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.478 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -89.48 117.01 67.79 Favored Pre-proline 0 C--N 1.357 0.902 0 O-C-N 124.698 1.249 . . . . 0.0 109.768 170.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.88 171.82 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 120.698 0.932 . . . . 0.0 114.507 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -74.57 117.75 5.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 120.731 0.954 . . . . 0.0 110.43 175.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.63 3.09 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.926 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -98.11 137.17 37.28 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.764 -1.218 . . . . 0.0 108.462 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.592 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.3 p -60.1 161.13 13.6 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 112.363 -2.199 . . . . 0.0 109.84 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.06 -13.75 8.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 122.876 0.935 . . . . 0.0 113.981 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -29.83 69.03 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.213 0.946 . . . . 0.0 110.287 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.592 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.6 OUTLIER -67.29 -37.72 83.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 113.168 -1.833 . . . . 0.0 112.038 175.357 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.6 m -79.54 -34.46 41.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.445 2.341 . . . . 0.0 109.495 -169.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -75.1 -41.62 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.368 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.9 63.89 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.859 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.19 -55.1 31.91 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 112.142 -2.299 . . . . 0.0 112.628 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -67.61 -28.75 68.01 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 119.42 -0.912 . . . . 0.0 112.646 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.42 -57.08 10.28 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.78 -49.61 75.68 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.645 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.76 -47.06 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.221 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.9 -1.29 57.89 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 124.583 1.177 . . . . 0.0 111.768 -171.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.53 73.7 1.04 Allowed Glycine 0 C--N 1.354 1.544 0 O-C-N 124.271 0.982 . . . . 0.0 110.845 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.8 t -145.27 165.98 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 CA-C-N 112.423 -1.888 . . . . 0.0 106.919 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 113.517 -1.674 . . . . 0.0 110.269 179.564 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.715 ' HZ2' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.158 0 CA-C-O 123.064 1.412 . . . . 0.0 110.097 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -117.15 114.51 23.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 110.034 -3.257 . . . . 0.0 109.045 -170.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.715 ' HG1' ' HZ2' ' A' ' 3' ' ' LYS . 8.6 m -84.01 138.58 33.02 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 111.306 -2.679 . . . . 0.0 107.729 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.51 149.19 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.047 0 C-N-CA 128.092 2.557 . . . . 0.0 105.777 169.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -124.49 133.67 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.126 1 CA-C-N 107.56 -4.382 . . . . 0.0 103.538 -172.938 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.42 129.08 38.84 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.933 163.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.91 146.29 16.26 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 111.244 -2.707 . . . . 0.0 108.444 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.08 120.6 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 165.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 tt -99.22 133.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 O-C-N 125.925 2.016 . . . . 0.0 108.46 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.052 0 CA-C-N 112.571 -2.104 . . . . 0.0 111.529 177.625 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 122.571 1.177 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t 178.44 -32.61 0.01 OUTLIER 'General case' 0 C--N 1.345 0.382 0 CA-C-N 110.987 -2.824 . . . . 0.0 108.191 163.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.8 -45.35 86.66 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.821 1.326 . . . . 0.0 109.07 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -44.89 96.31 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.213 -2.267 . . . . 0.0 109.576 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -89.87 37.86 0.9 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.119 -2.31 . . . . 0.0 111.53 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 20.07 3.3 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.014 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.42 29.64 75.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 113.346 -1.752 . . . . 0.0 112.679 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.28 152.22 20.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 t -125.81 134.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 O-C-N 125.27 1.606 . . . . 0.0 108.686 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.5 t -133.03 119.2 35.78 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 111.787 -2.461 . . . . 0.0 108.219 -162.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -85.94 109.98 19.13 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.686 1.241 . . . . 0.0 108.084 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 pp -92.31 -42.02 13.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 112.823 -1.989 . . . . 0.0 111.524 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.16 121.73 0.58 Allowed Glycine 0 C--N 1.35 1.35 0 C-N-CA 118.117 -1.992 . . . . 0.0 111.108 -171.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.75 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-N 112.095 -2.052 . . . . 0.0 108.291 167.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.3 -119.87 1.01 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 112.251 -2.249 . . . . 0.0 108.608 -162.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p 58.16 -158.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.177 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -162.25 -166.3 1.37 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.42 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -50.25 -35.85 28.72 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.864 1.977 . . . . 0.0 114.478 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.98 -21.73 66.89 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 117.978 -1.489 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -81.08 -42.28 21.25 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 124.743 1.277 . . . . 0.0 111.875 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -75.96 -31.05 58.86 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.0 0.905 . . . . 0.0 111.941 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.09 -32.92 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 111.465 -2.607 . . . . 0.0 110.512 168.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.04 -41.09 97.52 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.086 -1.445 . . . . 0.0 109.882 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.82 61.45 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 124.646 1.216 . . . . 0.0 111.336 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.35 56.28 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 116.489 -2.085 . . . . 0.0 112.889 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.83 -39.38 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.68 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.23 -50.46 14.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.434 -1.257 . . . . 0.0 113.147 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.6 p -97.65 -28.98 13.67 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 125.28 1.612 . . . . 0.0 113.926 -171.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 99.33 55.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 126.234 2.209 . . . . 0.0 110.792 168.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.78 16.64 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 111.723 -2.489 . . . . 0.0 111.505 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.42 -27.29 24.26 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.165 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.2 144.85 36.79 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.296 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 92.8 mt -129.8 125.26 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 111.167 -2.742 . . . . 0.0 106.699 -175.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -114.97 114.77 25.87 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.82 -170.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -107.85 121.82 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 111.692 -2.504 . . . . 0.0 108.322 -177.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.83 121.65 45.17 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.572 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -100.77 121.03 40.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 113.474 -1.694 . . . . 0.0 108.535 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.54 0.581 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.07 176.597 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.42 -32.63 54.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.486 -0.857 . . . . 0.0 111.907 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.37 -44.45 35.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.179 -165.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -77.47 -42.67 34.97 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.59 -1.641 . . . . 0.0 112.138 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 60' ' ' VAL . 26.3 t -78.04 -41.37 35.83 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.453 1.095 . . . . 0.0 112.944 -163.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -69.06 133.85 48.63 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.426 1.079 . . . . 0.0 111.371 -170.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.84 25.92 63.67 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 112.309 -2.223 . . . . 0.0 111.935 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 tp -75.64 -26.1 57.44 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.941 1.024 . . . . 0.0 112.115 158.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' H ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.04 -36.07 66.86 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 124.672 1.233 . . . . 0.0 108.64 173.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.292 25.7 mt-10 -77.6 -26.59 50.79 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.311 15.3 tptm -76.45 -29.4 56.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 125.606 1.816 . . . . 0.0 112.692 167.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.1 m -77.13 -40.38 45.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 125.45 1.719 . . . . 0.0 110.318 172.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.37 -42.34 95.61 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 110.902 -2.863 . . . . 0.0 109.898 173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.302 25.0 mm-40 -73.23 -29.78 63.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 109.702 -3.408 . . . . 0.0 112.726 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 -2.02 21.99 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.258 -1.792 . . . . 0.0 113.199 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.93 42.09 17.14 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 mt -145.37 59.77 1.28 Allowed 'General case' 0 C--N 1.346 0.432 0 CA-C-N 111.336 -2.432 . . . . 0.0 107.574 -175.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.15 116.74 29.12 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.699 -2.046 . . . . 0.0 108.242 172.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.9 -24.2 2.27 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-N 112.32 -2.218 . . . . 0.0 108.037 -164.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.82 124.64 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 111.702 -2.249 . . . . 0.0 108.115 166.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -109.12 132.62 53.94 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 110.774 -2.921 . . . . 0.0 107.484 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 mt -109.79 133.8 52.74 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.141 1.448 . . . . 0.0 110.626 -170.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -107.63 136.81 46.76 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.849 -3.342 . . . . 0.0 106.478 166.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.03 123.8 35.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.011 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.47 152.24 19.98 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.077 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.6 -140.68 16.4 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 112.824 -1.688 . . . . 0.0 110.897 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.65 82.29 2.0 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.005 -2.098 . . . . 0.0 107.963 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.8 pt -97.08 -41.5 11.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.729 -162.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.553 1.081 0 CA-C-O 122.75 1.262 . . . . 0.0 111.907 162.133 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.593 1.8 m-90 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 119.406 3.114 . . . . 0.0 119.406 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.04 -38.46 31.9 Favored 'Trans proline' 0 CA--C 1.556 1.578 0 CA-C-N 120.93 1.368 . . . . 0.0 114.472 166.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -80.11 -49.52 11.61 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.886 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.2 -48.1 87.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 124.332 1.02 . . . . 0.0 111.047 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.01 -35.51 78.42 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.006 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.47 -39.86 89.14 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.714 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -72.69 -53.09 12.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.451 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.81 -51.27 42.65 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.769 -1.559 . . . . 0.0 110.32 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -66.11 -39.58 90.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.545 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.42 75.09 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.418 1.074 . . . . 0.0 111.987 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.5 mmt -79.35 -20.02 48.84 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.121 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.03 -35.02 0.24 Allowed Glycine 0 C--N 1.358 1.798 0 C-N-CA 117.163 -2.446 . . . . 0.0 114.834 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -60.0 144.14 50.03 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.288 1.042 . . . . 0.0 111.255 -174.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.75 -56.23 5.25 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.617 -2.083 . . . . 0.0 109.454 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -145.2 150.96 37.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.441 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.26 132.7 70.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 113.294 -1.776 . . . . 0.0 108.89 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -92.92 116.75 66.99 Favored Pre-proline 0 C--N 1.356 0.881 0 O-C-N 124.618 1.199 . . . . 0.0 110.851 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.92 132.56 52.74 Favored 'Trans proline' 0 C--N 1.37 1.686 0 O-C-N 123.172 1.09 . . . . 0.0 112.098 159.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -65.08 111.38 1.74 Allowed 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 120.779 0.986 . . . . 0.0 110.971 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.22 -0.27 3.53 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 112.359 -2.201 . . . . 0.0 112.32 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 m -74.39 137.14 42.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 122.282 1.039 . . . . 0.0 109.788 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.555 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.6 p -57.26 165.94 1.79 Allowed Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 111.833 -2.439 . . . . 0.0 110.054 168.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 -14.86 8.25 Favored 'Trans proline' 0 C--N 1.354 0.82 0 O-C-N 122.642 0.812 . . . . 0.0 113.874 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.28 -29.66 65.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.47 1.106 . . . . 0.0 111.269 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.555 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -70.75 -31.87 68.82 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.229 -1.805 . . . . 0.0 112.127 175.366 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -79.4 -32.67 43.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.948 2.03 . . . . 0.0 109.189 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.1 -40.07 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.257 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.01 63.87 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.955 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -63.41 -55.23 25.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 116.719 -1.992 . . . . 0.0 112.333 170.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 21.7 ptp -67.43 -29.01 68.38 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.872 0.733 . . . . 0.0 112.304 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -71.87 -57.1 4.61 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.772 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -60.26 -30.94 69.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.15 -1.387 . . . . 0.0 113.993 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.94 -46.85 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.865 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 74.9 mt -95.88 21.63 8.35 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.494 1.121 . . . . 0.0 112.345 -170.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.68 59.84 4.6 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.082 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.72 155.12 8.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.479 -1.86 . . . . 0.0 107.177 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 113.344 -1.753 . . . . 0.0 109.177 -179.854 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 123.347 1.546 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -112.23 109.57 19.32 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 109.393 -3.548 . . . . 0.0 105.323 157.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 53' ' ' THR . 14.0 m -98.25 137.98 36.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.207 -2.27 . . . . 0.0 107.924 -178.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.02 122.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 111.903 -2.408 . . . . 0.0 105.308 171.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.299 0.9 OUTLIER -107.9 116.76 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 109.546 -3.479 . . . . 0.0 104.265 -167.177 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.55 128.7 46.07 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 117.173 -1.811 . . . . 0.0 110.723 179.573 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.32 145.87 16.02 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 110.526 -3.034 . . . . 0.0 110.14 173.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.45 120.26 46.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 116.522 -2.071 . . . . 0.0 106.687 163.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.521 HG21 ' SG ' ' A' ' 71' ' ' CYS . 5.7 tt -97.52 132.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 111.383 -2.644 . . . . 0.0 109.557 -167.261 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.427 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.387 -179.384 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m170 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.73 0.776 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t 89.72 -21.08 0.13 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 111.431 -2.622 . . . . 0.0 111.352 -171.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -87.55 -47.05 9.03 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -44.63 96.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.873 171.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -95.38 50.8 1.26 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.647 178.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.4 16.4 2.76 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.109 -1.859 . . . . 0.0 108.798 160.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.53 89.81 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 113.69 -1.596 . . . . 0.0 112.062 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 151.5 21.45 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 173.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -77.9 114.06 16.4 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 171.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.2 t -127.08 108.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 O-C-N 124.888 1.368 . . . . 0.0 108.666 -174.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.19 137.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 110.996 -2.82 . . . . 0.0 107.707 176.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.28 124.48 44.41 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 113.122 -1.853 . . . . 0.0 107.993 172.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.9 mt -68.93 -42.12 82.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 112.742 -2.027 . . . . 0.0 109.827 177.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.81 -157.93 19.95 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.265 -175.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -109.15 156.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 111.868 -2.166 . . . . 0.0 108.946 -175.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 41' ' ' SER . 2.4 tp 65.52 -137.4 0.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.896 177.418 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.497 ' HG ' ' H ' ' A' ' 42' ' ' SER . 40.5 t 55.81 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.354 0.761 0 C-N-CA 125.36 1.464 . . . . 0.0 112.154 -175.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.497 ' H ' ' HG ' ' A' ' 41' ' ' SER . 3.8 p -119.67 -159.91 0.8 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 111.967 -2.379 . . . . 0.0 106.84 166.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -48.19 -28.53 3.05 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 112.651 -2.068 . . . . 0.0 113.709 174.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' H ' ' HG ' ' A' ' 42' ' ' SER . 14.3 tp10 -60.74 -39.27 88.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.0 -21.34 24.88 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 118.019 -1.473 . . . . 0.0 111.252 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -34.23 59.21 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 123.213 1.482 . . . . 0.0 112.703 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.6 -49.27 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 109.823 -3.353 . . . . 0.0 110.146 156.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.07 -28.89 67.76 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.128 1.518 . . . . 0.0 113.381 -167.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 53' ' ' THR . . . -73.86 -28.54 61.63 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 117.409 -1.282 . . . . 0.0 111.291 169.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.38 59.94 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 118.738 -1.185 . . . . 0.0 113.376 172.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.2 -37.55 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.604 170.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.4 -50.73 29.04 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.474 -170.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.47 ' CG2' HG21 ' A' ' 5' ' ' THR . 1.6 t -91.81 -41.11 10.84 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.014 -171.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? 85.77 79.81 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.296 -2.683 . . . . 0.0 109.68 -162.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.42 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -64.94 136.07 56.4 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 112.036 -2.347 . . . . 0.0 109.933 178.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -90.28 -32.24 16.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.433 1.083 . . . . 0.0 109.885 164.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.23 145.01 36.82 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.384 175.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.5 mt -121.86 131.76 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 111.65 -2.523 . . . . 0.0 106.867 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -115.33 138.48 50.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 110.811 -2.904 . . . . 0.0 108.472 -173.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 136.11 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 111.411 -2.631 . . . . 0.0 108.11 -178.139 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.08 112.7 23.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 125.26 1.6 . . . . 0.0 108.452 178.497 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.536 ' HG ' ' HG ' ' A' ' 71' ' ' CYS . 47.7 m -104.03 163.78 12.15 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.603 -175.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.545 0.758 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.451 -178.739 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.805 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.47 -28.45 37.58 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.589 -1.305 . . . . 0.0 112.823 174.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.0 mt -68.37 -44.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.634 -172.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.38 -52.89 8.39 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.055 -1.884 . . . . 0.0 111.799 175.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 62' ' ' SER . 91.2 m -62.9 -51.14 68.11 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.555 -169.097 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -69.83 113.45 7.08 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.093 1.496 . . . . 0.0 110.788 -170.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.02 16.23 21.85 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 112.618 -2.083 . . . . 0.0 112.348 -176.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.6 tp -75.59 -25.81 57.33 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.742 0.817 . . . . 0.0 111.667 156.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.411 HH21 ' HB3' ' A' ' 111' ' ' MET . 66.4 ttp85 -59.16 -54.5 46.2 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.234 170.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.436 24.5 tt0 -77.54 -25.95 50.57 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 118.198 2.666 . . . . 0.0 118.198 -179.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.35 27.2 tttp -76.13 -29.11 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 125.142 1.526 . . . . 0.0 112.012 167.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.4 p -77.03 -41.45 42.56 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 117.662 -1.615 . . . . 0.0 110.146 174.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.74 -38.37 90.25 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 110.181 -3.19 . . . . 0.0 110.568 176.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.292 27.2 mm-40 -73.42 -30.76 63.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 110.949 -2.841 . . . . 0.0 112.826 175.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.34 0.05 15.6 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.429 -1.714 . . . . 0.0 113.058 178.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 44.04 9.04 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-O 122.269 0.927 . . . . 0.0 110.811 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.0 mt -138.61 63.02 1.53 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 111.867 -2.166 . . . . 0.0 107.142 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 116.81 29.25 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 111.956 -2.384 . . . . 0.0 108.303 172.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.07 -24.15 2.08 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 112.366 -2.197 . . . . 0.0 108.378 -171.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.63 124.47 20.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.102 167.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -109.42 130.29 55.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 109.749 -3.387 . . . . 0.0 106.539 169.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.41 132.61 53.96 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 123.439 1.59 . . . . 0.0 111.478 -165.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -109.61 129.81 55.56 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 108.976 -3.738 . . . . 0.0 106.821 166.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.87 123.78 57.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 113.756 -1.566 . . . . 0.0 108.715 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.26 22.33 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.82 -166.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.35 -149.16 17.02 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 111.86 -2.17 . . . . 0.0 108.455 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -91.51 82.95 5.33 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.907 -1.647 . . . . 0.0 106.962 168.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.3 pt -79.57 -37.06 18.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.091 -169.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.545 0.769 0 CA-C-N 113.045 -1.889 . . . . 0.0 111.757 166.111 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.423 1.4 m-90 . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 120.032 3.345 . . . . 0.0 120.032 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -47.9 -52.07 8.81 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 CA-C-N 121.123 1.437 . . . . 0.0 114.319 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -73.14 -47.62 42.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.923 179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 ' HA ' HH21 ' A' ' 107' ' ' ARG . 93.8 t -66.32 -51.6 56.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.168 -170.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.44 -40.28 64.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 113.419 -1.719 . . . . 0.0 110.677 -170.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.44 -29.96 71.16 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.934 1.397 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.413 HH21 ' HA ' ' A' ' 104' ' ' VAL . 14.4 ttp180 -69.56 -49.83 50.6 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.258 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.74 -33.44 73.91 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.884 -1.507 . . . . 0.0 112.142 -177.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -77.78 -28.94 50.62 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.865 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.03 -27.93 69.14 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.172 175.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.411 ' HB3' HH21 ' A' ' 75' ' ' ARG . 19.5 mmt -70.74 -64.16 0.95 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.775 166.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.52 2.38 0.1 OUTLIER Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.716 177.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -59.9 115.97 3.78 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.12 70.43 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.916 -161.1 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -136.66 147.97 47.14 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 123.227 1.489 . . . . 0.0 110.253 176.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.05 113.83 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 110.332 -3.122 . . . . 0.0 108.513 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.16 118.43 55.97 Favored Pre-proline 0 C--N 1.352 0.685 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.703 -170.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.87 167.56 2.23 Favored 'Trans proline' 0 C--N 1.369 1.637 0 N-CA-C 115.806 1.425 . . . . 0.0 115.806 169.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.02 -1.51 6.3 Favored 'Trans proline' 0 C--N 1.371 1.711 0 N-CA-C 118.293 2.382 . . . . 0.0 118.293 -172.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.62 69.54 0.3 Allowed Glycine 0 C--N 1.347 1.176 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -176.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.36 40.4 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 112.039 -2.081 . . . . 0.0 108.713 176.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -52.76 159.79 1.65 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 113.052 -1.885 . . . . 0.0 110.233 165.361 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.99 -18.39 6.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 123.01 1.005 . . . . 0.0 113.059 174.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -73.13 -29.73 63.1 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.177 -169.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.551 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -71.59 -31.81 67.36 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.194 175.928 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.4 m -79.23 -37.06 38.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 126.176 2.172 . . . . 0.0 108.296 -172.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.1 -37.17 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 110.695 -2.957 . . . . 0.0 109.823 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.02 63.97 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.667 173.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -62.56 -55.33 28.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 115.871 -2.332 . . . . 0.0 112.25 170.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 18.4 ptp -67.37 -28.93 68.35 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.868 0.73 . . . . 0.0 111.779 -172.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -68.86 -54.81 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.2 176.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.98 -51.39 69.86 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.798 -1.092 . . . . 0.0 113.781 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.01 -46.99 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.705 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.44 -1.71 42.69 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.714 -175.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.84 63.31 1.91 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.841 167.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.7 p -161.1 149.97 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 111.674 -2.263 . . . . 0.0 109.753 -172.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.548 0.873 0 CA-C-N 109.216 -3.629 . . . . 0.0 110.983 -172.597 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -102.16 109.83 21.64 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.517 -1.674 . . . . 0.0 107.302 162.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 m -83.47 125.06 31.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.121 -1.854 . . . . 0.0 107.133 170.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 146.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 111.488 -2.596 . . . . 0.0 104.798 156.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.269 1.2 t -130.16 125.75 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-N 109.043 -3.708 . . . . 0.0 103.42 -166.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.57 129.12 38.59 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 116.996 -1.882 . . . . 0.0 109.993 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.98 146.15 16.2 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 111.418 -2.628 . . . . 0.0 110.051 170.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -97.43 120.61 46.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.77 117.96 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 111.786 -2.461 . . . . 0.0 109.781 -168.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.557 0 CA-C-N 111.2 -2.727 . . . . 0.0 113.687 171.458 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 m80 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -67.21 -46.38 74.04 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.997 174.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -70.88 -42.76 69.59 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.675 -2.057 . . . . 0.0 110.476 -176.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -42.79 99.64 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.705 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -90.72 19.45 5.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 112.923 -1.944 . . . . 0.0 111.682 178.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.67 2.64 56.61 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.084 166.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 24.44 73.55 Favored Glycine 0 C--N 1.356 1.67 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.181 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.35 152.98 18.37 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 118.454 -1.298 . . . . 0.0 108.349 -177.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -77.96 104.93 8.83 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 165.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.97 108.86 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.564 -172.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.46 118.87 53.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.147 -176.3 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -85.85 108.88 18.34 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.889 -1.959 . . . . 0.0 108.179 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.82 -25.71 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 112.394 -2.185 . . . . 0.0 110.77 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 176.12 22.78 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.235 175.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -87.26 117.93 32.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 112.361 -1.92 . . . . 0.0 109.505 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -164.09 139.5 6.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.008 173.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -85.06 90.84 7.95 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.615 163.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.15 127.77 0.1 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.5 1.143 . . . . 0.0 112.439 173.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.93 -55.23 10.41 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 112.184 -2.28 . . . . 0.0 112.506 169.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.8 -19.96 64.55 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.421 1.075 . . . . 0.0 113.334 -164.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -77.12 -44.9 28.73 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.33 1.019 . . . . 0.0 111.261 175.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -34.89 59.19 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 122.797 1.284 . . . . 0.0 113.436 -175.401 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.61 -45.27 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 110.329 -3.123 . . . . 0.0 110.619 161.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.04 -28.76 66.84 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.89 1.369 . . . . 0.0 112.08 -171.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -28.33 62.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.199 0.937 . . . . 0.0 112.413 171.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.3 62.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 117.921 -1.512 . . . . 0.0 113.768 166.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.05 -43.04 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.657 173.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.15 -50.65 12.52 Favored 'General case' 0 CA--C 1.493 -1.224 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.315 -168.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.26 0.0 OUTLIER -105.17 -9.84 17.49 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 110.522 -3.035 . . . . 0.0 113.617 -165.525 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 73.63 59.83 0.09 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 124.98 1.425 . . . . 0.0 110.025 167.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.87 122.58 28.9 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.037 -169.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.22 -28.27 63.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.892 173.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.261 2.7 pt? -140.38 144.92 36.48 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.91 1.814 . . . . 0.0 112.508 175.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.488 HD11 ' SG ' ' A' ' 78' ' ' CYS . 60.0 mt -126.15 128.28 71.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 109.33 -3.577 . . . . 0.0 108.531 -177.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 41.8 t -115.07 136.75 52.78 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 112.46 -2.155 . . . . 0.0 109.049 -175.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.12 121.72 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 111.649 -2.523 . . . . 0.0 106.15 179.208 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -114.83 112.68 23.15 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.775 1.297 . . . . 0.0 108.616 175.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 p -100.86 155.87 17.69 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.848 -178.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.487 0 CA-C-N 110.731 -2.941 . . . . 0.0 110.176 -166.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.834 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -27.95 68.12 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.253 -1.474 . . . . 0.0 112.453 177.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -68.16 -44.66 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.285 -170.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.91 -56.12 4.75 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.027 170.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 64.5 m -64.48 -25.71 68.12 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 113.501 -1.681 . . . . 0.0 115.04 -164.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -57.0 111.44 1.04 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.192 0.932 . . . . 0.0 109.99 -177.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.67 40.84 36.78 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 118.581 -1.771 . . . . 0.0 110.784 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.43 -26.23 58.17 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 126.364 1.861 . . . . 0.0 110.316 161.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -73.08 -32.02 64.74 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 117.619 -1.632 . . . . 0.0 109.507 172.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.351 33.6 tt0 -77.59 -26.43 50.76 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 169.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 5.3 tmtt? -76.18 -29.21 57.6 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 125.748 1.905 . . . . 0.0 112.72 166.8 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.488 ' SG ' HD11 ' A' ' 58' ' ' ILE . 69.9 m -77.14 -40.94 43.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 125.667 1.854 . . . . 0.0 110.495 171.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.87 -43.42 85.99 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 110.676 -2.965 . . . . 0.0 109.658 172.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 26.2 mm-40 -73.17 -29.88 63.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 109.172 -3.649 . . . . 0.0 112.226 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -3.19 27.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.343 176.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.67 46.49 7.86 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-O 122.471 1.039 . . . . 0.0 110.754 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -149.28 70.32 1.08 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 111.535 -2.332 . . . . 0.0 106.812 -175.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.65 127.03 55.99 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.24 -2.254 . . . . 0.0 110.449 -173.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.12 -28.0 5.46 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 107.104 -2.398 . . . . 0.0 107.104 -172.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.93 124.74 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-N 110.136 -3.032 . . . . 0.0 109.322 165.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.52 130.8 55.27 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 110.93 -2.85 . . . . 0.0 109.166 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -120.88 149.31 42.79 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.477 -172.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -114.77 131.46 56.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 109.48 -3.509 . . . . 0.0 109.807 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.6 p -125.86 123.84 65.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 114.092 -1.413 . . . . 0.0 109.053 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.91 152.19 20.66 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.814 -174.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.51 -122.37 7.17 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.887 -2.157 . . . . 0.0 112.076 164.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.41 71.93 3.77 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.374 1.083 . . . . 0.0 109.154 -175.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.419 HG13 ' H ' ' A' ' 95' ' ' VAL . 1.2 pt -86.25 -78.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 112.09 -2.323 . . . . 0.0 107.497 -172.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.419 ' H ' HG13 ' A' ' 94' ' ' ILE . 3.4 t . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.386 -1.733 . . . . 0.0 112.835 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.433 4.4 m-90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 118.815 2.895 . . . . 0.0 118.815 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.96 -50.0 12.7 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 N-CA-C 115.123 1.163 . . . . 0.0 115.123 173.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.8 -48.38 66.45 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.468 -1.697 . . . . 0.0 111.517 174.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.43 -59.08 4.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.166 -167.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.47 -27.97 69.35 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.75 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -58.52 -38.02 76.85 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 117.784 -1.567 . . . . 0.0 111.461 173.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -69.99 -53.35 18.07 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.372 -179.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -72.36 -54.98 7.86 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.721 -167.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -63.34 -28.67 70.16 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.6 177.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.85 76.06 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.59 -1.244 . . . . 0.0 112.643 175.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.6 mmt -65.43 -29.94 70.68 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 119.022 -1.071 . . . . 0.0 112.118 173.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.76 20.22 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.544 176.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.16 146.56 30.47 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.084 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.24 -72.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -158.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -144.26 149.18 35.9 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.118 0.886 . . . . 0.0 110.181 -162.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.23 137.57 55.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.072 -175.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.63 146.97 41.08 Favored Pre-proline 0 C--N 1.356 0.872 0 CA-C-N 112.05 -2.341 . . . . 0.0 111.828 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -68.69 178.17 4.16 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.697 1.598 . . . . 0.0 113.437 170.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.44 122.42 2.79 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 122.238 1.958 . . . . 0.0 109.641 161.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.5 56.53 2.0 Allowed Glycine 0 C--N 1.349 1.3 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.741 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.104 -2.048 . . . . 0.0 107.851 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.5 p -60.33 116.97 20.07 Favored Pre-proline 0 C--N 1.351 0.662 0 O-C-N 125.443 1.715 . . . . 0.0 107.602 163.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -64.95 -9.72 22.55 Favored 'Trans proline' 0 C--N 1.365 1.439 0 O-C-N 122.671 0.827 . . . . 0.0 114.129 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.02 -37.18 19.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 125.251 1.595 . . . . 0.0 112.459 169.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -32.66 52.66 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.997 -1.456 . . . . 0.0 112.708 -177.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.3 -34.21 42.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 126.001 2.063 . . . . 0.0 109.336 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.24 -39.41 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 111.236 -2.711 . . . . 0.0 109.945 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.99 63.61 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.286 -1.779 . . . . 0.0 111.378 174.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -64.11 -55.16 23.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 116.406 -2.118 . . . . 0.0 113.303 170.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 19.1 ptp -64.84 -28.97 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.096 0.872 . . . . 0.0 110.964 -174.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -67.62 -57.12 6.97 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.795 177.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.432 ' CG ' ' H ' ' A' ' 133' ' ' VAL . 2.0 pp20? -66.55 -57.17 7.83 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 117.506 -1.678 . . . . 0.0 114.213 -177.104 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.432 ' H ' ' CG ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -59.36 -34.55 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 112.069 -2.332 . . . . 0.0 113.881 -170.269 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.1 mt -89.31 -18.61 26.61 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.131 0.894 . . . . 0.0 111.127 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.11 78.72 1.31 Allowed Glycine 0 C--N 1.353 1.498 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.068 178.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.69 162.57 5.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 112.33 -1.935 . . . . 0.0 107.017 -173.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.483 176.244 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.04 109.89 22.22 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 113.15 -1.841 . . . . 0.0 108.068 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -87.19 140.17 29.82 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.831 -1.986 . . . . 0.0 106.922 170.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 149.32 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.915 0 C-N-CA 129.952 3.301 . . . . 0.0 105.003 176.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 2.4 t -123.88 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 1 CA-C-N 108.163 -4.108 . . . . 0.0 104.12 177.52 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.12 128.22 37.65 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 115.643 -2.423 . . . . 0.0 105.639 155.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.32 145.27 15.79 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.637 -2.074 . . . . 0.0 108.259 -177.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.41 120.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 117.774 -1.571 . . . . 0.0 107.41 -177.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 tt -98.88 144.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 CA-C-N 110.696 -2.956 . . . . 0.0 110.666 -156.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.289 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.498 165.648 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 t60 . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -84.61 -24.34 29.18 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 125.444 1.715 . . . . 0.0 111.096 -175.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.07 -43.15 58.81 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.959 -1.473 . . . . 0.0 108.81 176.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.65 97.72 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.68 -2.054 . . . . 0.0 109.868 175.142 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -89.27 38.3 0.89 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.884 176.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.77 22.59 3.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.231 165.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.62 33.81 88.23 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-N 112.788 -2.006 . . . . 0.0 112.844 177.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.08 148.98 28.11 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.82 104.79 10.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 168.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.54 131.51 73.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.188 -1.824 . . . . 0.0 107.878 -172.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.08 110.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.155 -2.293 . . . . 0.0 107.762 -168.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.65 111.48 20.7 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.304 -1.771 . . . . 0.0 108.685 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mm -77.86 -39.96 26.6 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.252 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.88 175.78 51.15 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.458 -174.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.99 162.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.628 -1.786 . . . . 0.0 110.716 -175.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt 71.27 77.94 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.157 -2.292 . . . . 0.0 109.37 173.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 p 152.23 152.04 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 109.758 -3.383 . . . . 0.0 104.471 -161.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -150.28 -150.87 0.37 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.073 -1.421 . . . . 0.0 108.334 -169.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -47.96 -48.76 32.07 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 125.226 1.41 . . . . 0.0 113.914 -169.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.74 -27.58 68.41 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 124.914 1.384 . . . . 0.0 112.176 -173.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.776 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.58 -34.39 58.44 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.953 1.359 . . . . 0.0 113.162 -177.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.87 -46.33 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 110.099 -3.228 . . . . 0.0 111.792 156.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.94 -28.78 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.784 1.303 . . . . 0.0 111.362 -172.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.88 61.82 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.358 169.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.76 -30.2 65.32 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.673 -2.011 . . . . 0.0 113.413 168.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.51 -42.11 83.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.035 172.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.05 -50.39 13.19 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.917 -168.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.7 p -95.31 -28.76 14.83 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 125.59 1.807 . . . . 0.0 112.775 -171.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.261 56.4 mttp 92.58 57.46 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 112.13 -2.304 . . . . 0.0 109.976 169.007 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 123.62 26.12 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 109.738 -3.392 . . . . 0.0 111.214 -172.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.62 -17.65 50.63 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 125.663 1.852 . . . . 0.0 110.111 170.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.46 144.74 36.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.144 1.45 . . . . 0.0 111.623 173.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.74 122.11 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 110.745 -2.934 . . . . 0.0 107.317 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.1 t -109.18 141.29 41.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.915 -2.402 . . . . 0.0 108.377 178.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -117.41 121.88 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 110.925 -2.852 . . . . 0.0 105.352 173.435 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.24 128.72 44.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 112.083 -2.326 . . . . 0.0 106.363 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -124.17 138.37 54.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 113.1 -1.864 . . . . 0.0 108.966 -162.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 111.849 -2.432 . . . . 0.0 110.616 -168.234 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 CA-C-O 122.843 1.246 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -80.7 -27.73 36.91 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 111.035 -2.583 . . . . 0.0 114.645 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.75 -35.16 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 O-C-N 124.952 1.407 . . . . 0.0 110.005 172.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -77.03 -29.94 55.5 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.281 -1.782 . . . . 0.0 111.118 175.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 60' ' ' VAL . 35.8 t -70.58 -25.63 63.15 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.567 1.167 . . . . 0.0 114.041 -174.117 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -50.01 117.62 2.43 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.248 0.967 . . . . 0.0 112.315 -170.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.55 32.77 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 113.003 -1.908 . . . . 0.0 112.209 -176.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 -25.8 56.95 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.807 0.945 . . . . 0.0 110.113 152.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.02 88.52 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 117.896 -1.521 . . . . 0.0 108.846 172.153 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 28.3 tt0 -77.72 -26.31 49.97 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 176.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.353 30.4 mmtp -76.61 -29.49 56.54 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 125.176 1.547 . . . . 0.0 113.402 166.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.4 t -77.38 -32.34 54.85 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 125.069 1.481 . . . . 0.0 111.877 174.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.98 -34.14 51.03 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 110.852 -2.885 . . . . 0.0 111.06 173.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 31.7 mt-10 -73.29 -29.79 62.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 111.681 -2.509 . . . . 0.0 112.744 174.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.84 1.54 10.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.442 -1.708 . . . . 0.0 112.478 -177.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.95 38.29 36.2 Favored Glycine 0 C--N 1.354 1.529 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.49 34.55 1.65 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 111.596 -2.302 . . . . 0.0 109.091 -169.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 121.63 24.34 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.108 177.681 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.47 -28.53 1.49 Allowed Glycine 0 C--N 1.351 1.375 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -170.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.0 125.8 22.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 111.796 -2.202 . . . . 0.0 110.984 170.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.91 138.6 31.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 109.773 -3.376 . . . . 0.0 108.277 164.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.04 137.15 52.1 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 123.462 1.601 . . . . 0.0 112.015 -174.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -107.9 146.8 31.86 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 110.442 -3.072 . . . . 0.0 108.419 173.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.28 123.77 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 111.497 -2.592 . . . . 0.0 106.218 175.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.77 149.43 20.61 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 125.022 1.451 . . . . 0.0 112.914 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.7 -143.8 15.8 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-N 111.913 -2.143 . . . . 0.0 111.613 166.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -81.03 81.24 7.33 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 112.697 -1.751 . . . . 0.0 108.086 173.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.9 pt -78.13 -50.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 110.953 -2.84 . . . . 0.0 110.359 -170.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.551 0.99 0 CA-C-N 111.281 -2.69 . . . . 0.0 109.162 173.277 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.463 1.3 m-90 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 120.247 3.425 . . . . 0.0 120.247 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.89 -28.27 30.74 Favored 'Trans proline' 0 C--N 1.363 1.31 0 N-CA-C 116.097 1.537 . . . . 0.0 116.097 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.06 -42.52 23.55 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.55 175.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.71 -54.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.947 -174.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.61 -27.96 61.56 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.842 -1.526 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -60.56 -39.85 89.48 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.61 -1.236 . . . . 0.0 111.816 169.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -73.31 -53.15 11.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.561 -173.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -74.3 -43.77 55.42 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.137 -169.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.42 -28.71 66.37 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.918 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.73 71.57 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.192 0.933 . . . . 0.0 112.005 174.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.32 -62.48 1.51 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.13 167.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 148.39 37.93 0.04 OUTLIER Glycine 0 C--N 1.351 1.361 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.8 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -81.18 146.08 30.68 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.838 -1.181 . . . . 0.0 108.418 169.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.51 -72.71 0.18 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.129 -1.85 . . . . 0.0 110.812 -178.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -145.1 156.2 43.76 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 124.293 0.996 . . . . 0.0 111.305 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.67 115.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.082 -177.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -86.48 139.0 33.68 Favored Pre-proline 0 C--N 1.357 0.928 0 O-C-N 124.559 1.162 . . . . 0.0 110.801 167.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -61.89 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.062 1.841 . . . . 0.0 114.729 173.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.25 121.78 4.95 Favored 'Trans proline' 0 C--N 1.362 1.251 0 C-N-CA 121.445 1.43 . . . . 0.0 110.744 166.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.91 53.35 2.56 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 113.021 -1.899 . . . . 0.0 111.307 178.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.03 137.46 40.28 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 112.634 -1.783 . . . . 0.0 109.217 178.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.587 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -49.98 160.03 0.7 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.802 163.015 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.16 -18.61 8.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.064 1.176 . . . . 0.0 113.07 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.507 -169.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.587 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.2 m -67.57 -37.12 82.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 113.622 -1.626 . . . . 0.0 112.857 176.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 m -79.67 -32.14 41.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 126.855 2.597 . . . . 0.0 108.721 -173.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 71.1 mt -75.21 -39.19 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.364 178.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.94 63.99 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.443 174.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -59.2 -55.36 35.96 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 113.069 -1.878 . . . . 0.0 112.276 170.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.7 ptp -70.66 -28.81 65.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.897 0.748 . . . . 0.0 112.119 -174.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -65.37 -56.46 12.46 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.766 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.34 -43.5 83.47 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.776 -1.556 . . . . 0.0 114.165 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.66 -47.15 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 113.763 -1.562 . . . . 0.0 112.079 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.6 mt -93.41 11.43 28.41 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.58 1.175 . . . . 0.0 112.329 -168.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.29 65.8 2.34 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.223 0.952 . . . . 0.0 111.65 176.084 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -149.27 155.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.408 -174.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 CA--C 1.542 0.662 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.145 178.061 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.5 mttt . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 123.667 1.698 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -111.94 110.02 20.12 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 108.898 -3.774 . . . . 0.0 106.414 159.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -96.26 115.69 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.178 -2.283 . . . . 0.0 107.526 -176.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.03 137.76 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.307 0 CA-C-N 112.177 -2.283 . . . . 0.0 106.355 171.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 0.9 OUTLIER -130.17 126.45 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.786 1 CA-C-N 108.185 -4.098 . . . . 0.0 104.023 -164.776 . . . . . . . . 4 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.67 129.46 38.83 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 117.299 -1.76 . . . . 0.0 111.084 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.45 145.27 16.01 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.564 165.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -97.82 120.64 47.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 170.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -96.79 143.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-N 112.848 -1.978 . . . . 0.0 108.723 -166.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.949 0 CA-C-N 111.476 -2.602 . . . . 0.0 109.284 -174.625 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 122.117 0.96 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.3 p -152.74 -54.87 0.12 Allowed 'General case' 0 C--N 1.349 0.546 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.504 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.71 -48.13 64.64 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 112.099 -2.319 . . . . 0.0 109.339 177.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -75.74 -34.39 60.31 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.054 -2.339 . . . . 0.0 109.928 -174.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -80.93 20.45 0.78 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 110.855 -2.884 . . . . 0.0 111.953 168.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.64 23.37 8.83 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 163.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.73 38.89 93.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 112.521 -2.127 . . . . 0.0 112.885 177.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.19 155.8 17.55 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.08 173.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -78.91 104.84 9.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.934 -2.394 . . . . 0.0 104.992 161.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.57 108.8 22.36 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.555 -173.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.53 111.47 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 110.667 -2.969 . . . . 0.0 107.235 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.75 107.18 17.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 111.976 -2.375 . . . . 0.0 106.409 177.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.87 -24.6 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.248 178.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.42 -124.55 7.48 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 112.118 -2.31 . . . . 0.0 109.022 170.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 m -97.06 170.31 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 111.53 -2.335 . . . . 0.0 110.421 -171.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -17.61 130.24 0.01 OUTLIER 'General case' 0 C--N 1.347 0.478 0 CA-C-N 110.02 -3.264 . . . . 0.0 115.1 164.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 -62.19 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 110.79 -2.914 . . . . 0.0 106.601 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p 138.04 167.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.905 0 O-C-N 126.582 2.426 . . . . 0.0 108.089 -177.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -47.72 -50.24 25.75 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.093 -2.321 . . . . 0.0 112.861 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.71 -20.74 65.19 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 124.324 1.015 . . . . 0.0 113.471 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.29 -29.6 20.26 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 124.171 0.92 . . . . 0.0 111.395 177.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.34 -39.16 54.71 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 123.247 1.499 . . . . 0.0 111.607 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -49.75 -38.48 13.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 109.857 -3.338 . . . . 0.0 111.859 159.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.88 -28.81 67.84 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.319 1.012 . . . . 0.0 111.697 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.74 -28.9 62.92 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.009 0.818 . . . . 0.0 110.613 167.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.15 67.52 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 116.297 -2.161 . . . . 0.0 113.76 167.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.84 -38.93 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.759 174.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -77.02 -50.39 13.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.01 -1.45 . . . . 0.0 112.022 -169.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -96.78 -29.27 13.85 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 125.525 1.766 . . . . 0.0 114.001 -173.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 86.53 75.63 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 O-C-N 125.853 1.971 . . . . 0.0 109.392 176.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.09 146.99 54.27 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 110.066 -3.243 . . . . 0.0 111.025 -175.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -33.6 15.87 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.552 154.639 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -140.57 144.74 36.02 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 123.152 1.454 . . . . 0.0 112.258 -176.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.52 HD12 ' SG ' ' A' ' 78' ' ' CYS . 35.5 mt -126.29 132.8 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 110.472 -3.058 . . . . 0.0 107.78 -179.579 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 m -114.93 140.72 48.78 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.078 -176.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.57 121.85 46.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 110.543 -3.026 . . . . 0.0 105.929 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.08 113.0 23.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.83 -171.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -111.34 122.58 48.22 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.018 -170.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.542 0.659 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.956 -175.52 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 CA-C-O 121.421 0.456 . . . . 0.0 112.821 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.38 -27.93 60.88 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.269 -1.465 . . . . 0.0 111.509 176.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -85.48 -44.08 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 113.164 -1.835 . . . . 0.0 109.87 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.06 -29.93 55.33 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.177 -1.828 . . . . 0.0 112.77 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.3 p -78.11 -39.04 42.55 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.364 1.04 . . . . 0.0 110.883 175.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.61 125.07 23.08 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.892 -1.504 . . . . 0.0 111.664 -172.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.11 11.76 72.24 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 112.321 -2.218 . . . . 0.0 112.638 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 32.0 tp -75.55 -30.23 59.65 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.463 0.743 . . . . 0.0 110.139 154.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -51.63 -54.26 29.81 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.502 1.126 . . . . 0.0 110.548 166.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.406 26.8 tt0 -77.47 -26.13 51.12 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 28.3 mmtp -76.24 -29.38 57.5 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.924 1.39 . . . . 0.0 113.5 169.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.52 ' SG ' HD12 ' A' ' 58' ' ' ILE . 78.8 m -77.31 -34.65 55.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 123.332 1.539 . . . . 0.0 111.538 172.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.18 -44.21 84.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 110.094 -3.23 . . . . 0.0 109.871 171.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.278 32.7 mt-10 -73.28 -29.66 62.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 109.747 -3.388 . . . . 0.0 112.76 -176.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.76 0.33 13.38 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.468 -177.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 34.06 48.71 Favored Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -178.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.2 mt -135.95 44.91 2.43 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.865 -2.168 . . . . 0.0 108.696 -171.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 123.14 31.72 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.647 -2.069 . . . . 0.0 109.442 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.87 -31.17 2.22 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 107.309 -2.316 . . . . 0.0 107.309 -173.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.83 124.84 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.407 -2.397 . . . . 0.0 110.851 169.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.1 143.73 26.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 108.84 -3.8 . . . . 0.0 108.19 169.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.4 mt -121.23 130.64 53.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.778 -169.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.86 137.01 46.61 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 110.546 -3.025 . . . . 0.0 107.308 175.336 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.91 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 112.658 -2.065 . . . . 0.0 107.78 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.34 152.05 21.77 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.815 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.99 -153.88 25.59 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 111.543 -2.328 . . . . 0.0 108.869 -178.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -97.04 60.69 1.72 Allowed 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.137 -1.531 . . . . 0.0 108.529 171.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.25 152.35 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 112.08 -2.327 . . . . 0.0 106.934 -175.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.263 0.3 OUTLIER . . . . . 0 N--CA 1.439 -1.01 0 CA-C-N 112.41 -2.177 . . . . 0.0 111.168 -172.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.363 1.9 m-90 . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 120.522 3.527 . . . . 0.0 120.522 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -82.09 -52.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.975 0 CA-C-N 122.203 1.823 . . . . 0.0 111.311 164.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.16 -29.8 38.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.466 -2.152 . . . . 0.0 111.459 -173.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.18 -46.55 83.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.796 -174.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -73.55 -28.0 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.328 -1.305 . . . . 0.0 111.075 178.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.66 -43.15 97.99 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.33 176.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -75.49 -53.11 9.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.773 -175.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.93 -49.62 69.68 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.46 -169.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -69.29 -28.59 66.42 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.131 -2.304 . . . . 0.0 112.538 -178.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.0 69.11 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.038 0.836 . . . . 0.0 112.471 172.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.58 -45.02 84.86 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.314 1.009 . . . . 0.0 109.926 169.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.35 1.03 1.11 Allowed Glycine 0 CA--C 1.537 1.415 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.252 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 146.04 15.28 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.185 0.993 . . . . 0.0 111.604 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.3 -61.29 2.05 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 112.141 -2.299 . . . . 0.0 109.601 -174.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -145.07 150.16 36.34 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.161 -175.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.12 122.9 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.812 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -92.27 116.77 67.07 Favored Pre-proline 0 C--N 1.357 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 169.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -56.58 170.4 1.33 Allowed 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 120.856 1.037 . . . . 0.0 113.941 168.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -73.05 118.92 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 120.667 0.911 . . . . 0.0 111.068 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 105.13 26.21 6.4 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 112.84 -1.982 . . . . 0.0 112.393 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -89.01 137.06 32.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 122.316 1.055 . . . . 0.0 108.873 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.629 ' HG ' ' H ' ' A' ' 125' ' ' THR . 4.9 p -60.77 167.08 3.73 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 111.812 -2.449 . . . . 0.0 109.9 170.168 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.13 -13.2 9.1 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 120.597 0.864 . . . . 0.0 113.099 167.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.95 -29.85 69.82 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 121.6 0.714 . . . . 0.0 111.628 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.629 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.6 OUTLIER -70.14 -36.65 74.93 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.036 -1.893 . . . . 0.0 112.211 175.818 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.5 m -79.57 -31.03 41.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 127.481 2.988 . . . . 0.0 109.478 -172.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.12 -42.0 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.775 178.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 112.532 -2.122 . . . . 0.0 109.715 176.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' THR . 19.2 t0 -60.02 -55.25 36.33 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.757 -2.02 . . . . 0.0 112.7 171.406 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.4 ptp -69.28 -28.93 66.72 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.003 0.814 . . . . 0.0 111.977 -172.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -70.93 -57.09 4.92 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.661 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.18 -33.49 65.32 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.67 -46.5 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.434 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.0 mt -97.33 40.31 1.16 Allowed 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.257 0.973 . . . . 0.0 112.021 -167.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.28 43.77 37.35 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 114.326 -1.307 . . . . 0.0 112.744 171.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.33 -160.56 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -178.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.671 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.381 171.559 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' NZ ' ' HG1' ' A' ' 53' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.67 109.72 21.62 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.216 -1.811 . . . . 0.0 107.44 171.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.499 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 29.7 m -96.32 134.76 39.04 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.346 171.418 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.15 122.64 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.009 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 164.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.5 t -101.38 124.91 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 CA-C-N 108.826 -3.806 . . . . 0.0 102.654 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.32 129.08 39.02 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 117.956 -1.498 . . . . 0.0 109.089 173.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.85 145.4 15.96 Favored Glycine 0 C--N 1.357 1.72 0 CA-C-N 111.859 -2.428 . . . . 0.0 109.523 175.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.91 119.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.142 0 C-N-CA 114.226 -2.99 . . . . 0.0 106.128 178.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 142.04 16.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 O-C-N 125.569 1.793 . . . . 0.0 110.173 -163.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.975 0 CA-C-N 109.953 -3.294 . . . . 0.0 109.95 178.192 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -61.41 -44.57 96.91 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.254 -1.794 . . . . 0.0 112.712 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.23 -36.03 66.37 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.088 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.25 -32.47 73.51 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.326 -1.761 . . . . 0.0 110.647 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -103.48 22.29 14.52 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.712 -2.04 . . . . 0.0 110.94 176.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.02 2.06 53.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.147 166.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.63 26.12 66.02 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.229 -173.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -97.75 157.0 16.31 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 118.169 -1.412 . . . . 0.0 107.76 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.77 115.9 17.88 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 103.455 -2.794 . . . . 0.0 103.455 160.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.18 108.75 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 109.17 -177.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.71 110.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 111.392 -2.64 . . . . 0.0 107.826 178.034 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -86.98 98.02 11.03 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.107 173.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -73.55 -41.73 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 112.462 -2.153 . . . . 0.0 107.736 167.256 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 -21.73 25.66 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 112.24 -2.255 . . . . 0.0 115.27 151.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.29 170.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -159.109 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 mt -39.96 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.732 4.413 . . . . 0.0 115.009 -172.362 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 p -65.96 101.53 0.68 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -178.83 65.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.757 0 CA-C-N 112.404 -2.18 . . . . 0.0 109.465 -171.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.28 -28.95 69.55 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 112.541 -2.118 . . . . 0.0 112.2 170.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.35 -28.5 69.74 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.177 1.548 . . . . 0.0 111.179 176.201 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -87.01 -26.68 23.63 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.734 -1.576 . . . . 0.0 111.18 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.39 -39.55 53.37 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-O 123.516 1.627 . . . . 0.0 111.857 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -49.84 -40.3 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.588 -3.46 . . . . 0.0 111.409 161.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -72.38 -28.82 63.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 124.608 1.192 . . . . 0.0 111.688 -174.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 53' ' ' THR . . . -72.28 -28.6 63.21 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.483 167.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.52 60.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.398 1.062 . . . . 0.0 112.919 170.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.69 -36.58 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 171.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.62 -50.87 26.76 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.277 -171.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.499 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 1.1 t -91.07 -39.61 12.08 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 110.793 -2.912 . . . . 0.0 112.351 -168.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 7.1 mtmp? 85.89 77.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.661 0 CA-C-N 111.449 -2.614 . . . . 0.0 109.464 -164.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.84 58.23 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.504 -178.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -30.03 17.71 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.187 -1.37 . . . . 0.0 110.002 156.275 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.324 2.6 pt? -140.45 145.03 36.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 122.95 1.357 . . . . 0.0 112.963 177.697 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 46.0 mt -122.89 125.1 71.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 110.74 -2.936 . . . . 0.0 107.548 177.37 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.32 137.19 52.31 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 111.591 -2.549 . . . . 0.0 110.316 -175.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.47 121.82 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 110.457 -3.065 . . . . 0.0 106.526 178.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t -115.01 112.73 23.11 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.725 1.266 . . . . 0.0 108.361 -174.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -109.31 135.23 50.72 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.116 -155.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.355 0.845 0 CA-C-N 113.457 -1.702 . . . . 0.0 111.043 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' CB ' HH22 ' A' ' 107' ' ' ARG . 13.4 pt-20 -79.1 -30.49 43.86 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.418 -0.891 . . . . 0.0 110.813 174.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.68 -44.27 79.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 112.8 -2.0 . . . . 0.0 110.687 -170.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -77.3 -56.66 4.36 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 117.063 -1.855 . . . . 0.0 110.807 172.062 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.4 m -71.59 -38.8 70.83 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.736 -1.574 . . . . 0.0 112.745 -150.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.66 117.44 8.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.34 1.067 . . . . 0.0 111.496 -173.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.483 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 103.02 20.69 10.95 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 111.688 -2.505 . . . . 0.0 111.714 -176.018 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.53 -26.97 58.5 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.59 0.817 . . . . 0.0 111.199 161.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -56.49 -54.36 46.71 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.562 168.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.376 24.5 mp0 -77.08 -26.07 53.03 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 116.993 2.219 . . . . 0.0 116.993 -177.919 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -76.26 -29.26 57.39 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 125.654 1.846 . . . . 0.0 113.166 169.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.13 -33.81 56.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 123.19 1.472 . . . . 0.0 111.356 174.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.77 -34.79 67.2 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 110.552 -3.022 . . . . 0.0 110.437 173.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.323 2.0 pt-20 -73.13 -29.92 63.24 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.724 -2.489 . . . . 0.0 112.205 177.251 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.65 1.5 10.07 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.109 -2.314 . . . . 0.0 112.497 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.76 46.23 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.4 mt -140.71 43.48 1.84 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.802 -2.199 . . . . 0.0 108.831 -171.132 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 112.09 18.29 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 113.318 -1.764 . . . . 0.0 109.089 170.064 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.01 -29.3 0.59 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.798 -2.455 . . . . 0.0 108.453 -170.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.92 127.54 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 111.582 -2.309 . . . . 0.0 109.857 165.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -87.78 146.06 25.81 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 110.912 -2.858 . . . . 0.0 107.671 161.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.524 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.1 mt -125.25 133.8 52.55 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 122.545 1.164 . . . . 0.0 112.015 -170.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -107.94 129.95 55.07 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.223 -2.717 . . . . 0.0 107.787 169.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.0 123.94 71.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.716 167.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.58 152.33 20.64 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 112.128 -2.305 . . . . 0.0 108.45 -171.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.22 -144.92 16.99 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 177.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -79.92 -34.8 38.65 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.666 -1.767 . . . . 0.0 110.302 173.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . 0.266 2.7 pp 46.23 39.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.524 178.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.261 12.4 p . . . . . 0 N--CA 1.441 -0.882 0 CA-C-N 111.502 -2.59 . . . . 0.0 108.038 173.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.49 1.2 m-90 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 119.438 3.125 . . . . 0.0 119.438 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.05 -43.99 29.16 Favored 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 115.66 1.369 . . . . 0.0 115.66 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -80.19 -40.35 27.39 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.976 178.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.73 -51.76 42.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.232 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.0 -34.11 74.3 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 124.882 1.364 . . . . 0.0 112.47 174.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.55 -37.18 80.4 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.522 175.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.439 HH22 ' CB ' ' A' ' 68' ' ' GLU . 57.4 ttp85 -78.11 -42.36 32.22 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.392 1.057 . . . . 0.0 112.175 -176.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.74 -53.94 19.0 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.46 -175.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -70.74 -32.05 69.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.68 -175.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.0 62.96 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.308 1.005 . . . . 0.0 112.096 -179.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.483 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.55 -33.53 75.24 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 118.937 -1.105 . . . . 0.0 110.184 175.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.13 -39.21 0.11 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 118.669 -1.729 . . . . 0.0 113.156 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.58 146.09 37.12 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.496 1.141 . . . . 0.0 112.391 -166.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.94 -49.26 20.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.267 -2.242 . . . . 0.0 109.821 178.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -145.06 148.83 34.11 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.818 -165.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -123.31 114.01 40.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.896 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -89.88 116.77 67.16 Favored Pre-proline 0 C--N 1.36 1.048 0 O-C-N 124.263 0.977 . . . . 0.0 110.547 168.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -57.57 177.46 0.22 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 N-CA-C 116.462 1.678 . . . . 0.0 116.462 169.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.57 120.29 7.95 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.614 1.542 . . . . 0.0 113.661 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.06 44.21 37.0 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.448 -1.705 . . . . 0.0 112.989 173.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -81.37 137.2 35.74 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.619 -1.29 . . . . 0.0 108.648 172.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.615 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.4 p -55.04 160.21 3.27 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 112.165 -2.289 . . . . 0.0 109.994 170.38 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.11 -11.97 9.64 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 O-C-N 122.85 0.921 . . . . 0.0 113.45 171.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -69.75 -29.92 67.38 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.056 0.847 . . . . 0.0 110.468 -176.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.615 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -69.95 -37.4 75.82 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.948 174.829 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.9 m -79.57 -33.06 42.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.521 2.388 . . . . 0.0 109.158 -169.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 66.4 mt -75.12 -42.25 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 126.386 2.304 . . . . 0.0 109.885 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.22 -30.93 63.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.084 -1.871 . . . . 0.0 110.625 175.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -65.45 -48.54 72.36 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 112.75 -2.023 . . . . 0.0 112.651 171.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.6 ptp -68.52 -28.94 67.44 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.731 0.696 . . . . 0.0 112.472 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -68.17 -57.1 6.58 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.561 177.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.08 -37.71 77.74 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.514 -177.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.68 -47.05 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.833 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.3 mt -89.62 3.23 53.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 124.326 1.016 . . . . 0.0 111.987 -167.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.28 61.16 1.41 Allowed Glycine 0 C--N 1.354 1.561 0 O-C-N 124.214 0.946 . . . . 0.0 110.925 175.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.98 157.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 112.227 -1.986 . . . . 0.0 107.292 -175.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.95 175.785 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttm . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 123.28 1.514 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.88 135.09 54.58 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 109.597 -3.456 . . . . 0.0 108.207 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m -101.94 123.35 45.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.373 -2.649 . . . . 0.0 107.928 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.01 147.21 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 129.896 3.278 . . . . 0.0 104.243 170.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.282 2.3 t -130.14 130.98 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 108.719 -3.855 . . . . 0.0 103.524 -174.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.33 129.15 39.11 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 116.859 -1.936 . . . . 0.0 109.761 166.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.89 145.83 16.11 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 111.18 -2.736 . . . . 0.0 109.293 174.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.85 120.48 47.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 tt -109.22 136.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 125.24 1.588 . . . . 0.0 109.52 -168.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.316 0 CA-C-N 112.798 -2.001 . . . . 0.0 109.104 -175.671 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.2 t60 . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 122.911 1.339 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -124.62 -47.95 1.82 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 111.041 -2.8 . . . . 0.0 106.496 162.114 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -74.49 -43.26 56.83 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 112.351 -2.204 . . . . 0.0 109.004 175.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -37.07 86.02 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 112.799 -2.001 . . . . 0.0 110.296 174.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -89.28 19.05 4.6 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.08 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.53 4.5 52.0 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.159 176.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.93 74.38 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.246 -171.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -100.45 153.14 19.6 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -78.86 104.79 9.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 165.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.4 t -127.07 113.68 33.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.88 -173.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.95 110.95 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 110.899 -2.864 . . . . 0.0 107.551 165.653 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -85.88 97.96 10.51 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.989 -1.914 . . . . 0.0 107.131 171.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -22.53 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.58 176.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.17 -87.24 1.03 Allowed Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.217 -1.81 . . . . 0.0 112.289 151.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.14 170.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 112.482 -1.859 . . . . 0.0 110.217 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.95 144.7 4.46 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.581 -3.009 . . . . 0.0 112.666 -175.852 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -157.29 -79.33 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 111.255 -2.702 . . . . 0.0 108.471 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 44' ' ' GLU . 1.8 t 170.03 155.09 0.05 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.877 1.36 . . . . 0.0 108.112 -177.275 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 88.6 mt-30 -48.01 -55.02 11.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.654 -1.165 . . . . 0.0 111.712 170.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' H ' ' HG ' ' A' ' 42' ' ' SER . 27.3 tp10 -61.27 -16.44 45.54 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.935 1.397 . . . . 0.0 112.76 -176.199 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.34 -31.8 15.94 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.188 -177.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -40.45 49.88 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 123.618 1.675 . . . . 0.0 111.669 176.523 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.9 mt -49.85 -37.12 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 109.513 -3.494 . . . . 0.0 112.247 158.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.29 -28.81 67.51 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.195 -179.024 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.43 77.42 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.316 1.01 . . . . 0.0 109.824 163.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -30.29 66.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 176.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.64 -37.29 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.644 174.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.21 -50.26 28.93 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.003 -172.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -105.09 -25.73 12.4 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 113.471 -1.695 . . . . 0.0 112.946 -169.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 88.03 62.01 0.01 OUTLIER 'General case' 0 C--N 1.346 0.417 0 O-C-N 125.748 1.905 . . . . 0.0 109.975 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CD1' ' A' ' 86' ' ' ILE . . . -85.37 122.43 29.51 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.639 -174.528 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.418 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . 29.0 t70 -84.44 -14.81 48.24 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 126.118 2.136 . . . . 0.0 109.281 172.759 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.45 144.34 44.35 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 124.383 2.04 . . . . 0.0 112.17 167.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -132.14 120.7 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 1 CA-C-N 108.32 -4.037 . . . . 0.0 108.112 -177.541 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.01 140.89 36.69 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.688 175.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.22 121.45 37.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 111.303 -2.68 . . . . 0.0 105.382 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.44 113.18 23.38 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 113.511 -1.677 . . . . 0.0 108.747 -173.171 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.84 126.23 47.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.353 0.741 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.678 -175.149 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 CA-C-O 120.096 -0.28 . . . . 0.0 113.569 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.2 -31.24 71.49 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 117.271 -1.772 . . . . 0.0 110.342 176.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -91.21 -44.49 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.202 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -77.53 -56.21 4.72 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.463 -172.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.09 -37.3 46.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.045 -2.343 . . . . 0.0 111.373 -163.064 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.52 116.82 5.02 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.108 -168.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.33 32.55 31.0 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 112.616 -2.084 . . . . 0.0 112.104 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.76 -27.83 58.21 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 125.006 1.062 . . . . 0.0 112.663 162.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.454 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 64.9 ttp85 -73.23 -37.42 66.39 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 116.585 -2.046 . . . . 0.0 109.262 175.526 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.438 15.1 tp10 -77.57 -26.21 50.64 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.263 1.1 tpmt? -76.2 -29.43 57.62 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 125.255 1.597 . . . . 0.0 112.019 167.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . 0.546 ' SG ' HG21 ' A' ' 86' ' ' ILE . 14.5 p -77.13 -43.01 35.64 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 123.485 1.612 . . . . 0.0 110.083 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.07 -37.57 87.91 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 109.476 -3.511 . . . . 0.0 108.469 176.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 29.1 mm-40 -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 112.354 -2.203 . . . . 0.0 113.485 175.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -0.11 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.92 -177.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.68 37.85 18.58 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 120.06 -1.067 . . . . 0.0 110.963 -177.366 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.12 -165.32 1.3 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.039 -2.081 . . . . 0.0 105.846 171.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.326 61.6 mmtt -70.83 -173.42 0.78 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.445 -2.161 . . . . 0.0 114.243 -175.654 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.21 49.98 1.49 Allowed Glycine 0 C--N 1.345 1.045 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 158.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.546 HG21 ' SG ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -63.74 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.732 -3.734 . . . . 0.0 106.925 -167.187 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -87.47 117.03 25.99 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 109.768 -3.378 . . . . 0.0 108.226 -159.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.6 mt -110.65 140.34 45.09 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 113.424 -1.716 . . . . 0.0 110.952 -163.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -107.67 145.34 33.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 110.565 -3.016 . . . . 0.0 107.103 172.058 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.25 123.96 34.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 114.235 -1.348 . . . . 0.0 108.157 170.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.19 152.17 17.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.334 -164.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.84 -134.91 13.85 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-N 110.817 -2.692 . . . . 0.0 110.406 174.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -74.97 145.71 42.3 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.756 -1.722 . . . . 0.0 107.179 164.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt -147.88 -36.16 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.543 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.352 0.694 0 CA-C-O 123.62 1.676 . . . . 0.0 108.922 -176.323 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.5 1.5 m-90 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 119.572 3.175 . . . . 0.0 119.572 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.88 -50.56 11.5 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.41 1.182 . . . . 0.0 115.165 169.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.06 -35.64 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 113.475 -1.693 . . . . 0.0 112.681 177.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.73 -43.88 76.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.82 -173.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -71.91 -28.24 63.36 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.088 177.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -58.57 -42.81 88.79 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.978 172.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -72.91 -50.12 25.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.965 -177.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -71.21 -46.43 61.22 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.857 -1.519 . . . . 0.0 111.59 -170.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -75.47 -28.83 59.4 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.016 -1.902 . . . . 0.0 112.235 -175.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.14 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.485 1.116 . . . . 0.0 111.169 175.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -43.86 96.09 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.925 174.141 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.454 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 163.8 -11.46 0.09 OUTLIER Glycine 0 C--N 1.355 1.621 0 C-N-CA 118.72 -1.705 . . . . 0.0 114.217 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.24 135.14 51.53 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 122.59 1.186 . . . . 0.0 111.182 -176.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.7 -56.97 6.41 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 111.768 -2.469 . . . . 0.0 109.848 -177.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.2 156.01 43.6 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.787 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.22 139.0 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 112.557 -2.11 . . . . 0.0 110.021 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -106.58 126.14 31.09 Favored Pre-proline 0 C--N 1.359 1.004 0 O-C-N 124.867 1.354 . . . . 0.0 109.845 164.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.96 177.06 0.75 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 121.352 1.368 . . . . 0.0 114.067 167.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.97 119.05 4.95 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.006 1.138 . . . . 0.0 110.971 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.01 41.35 3.08 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.892 178.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 137.13 40.78 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.588 -1.306 . . . . 0.0 109.436 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.576 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.1 p -59.97 160.16 17.22 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.222 170.009 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.16 -13.39 8.96 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 120.898 1.066 . . . . 0.0 114.773 170.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.82 -29.67 70.64 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.543 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.576 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.446 -1.707 . . . . 0.0 113.006 176.6 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 m -79.59 -34.49 40.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 127.244 2.84 . . . . 0.0 109.74 -171.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.18 -40.24 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 111.373 -2.648 . . . . 0.0 109.921 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.87 63.82 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.095 -1.866 . . . . 0.0 110.047 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 125' ' ' THR . 5.9 t0 -56.79 -55.41 34.69 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 112.492 -2.14 . . . . 0.0 112.383 171.37 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -71.92 -33.86 68.61 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.336 1.022 . . . . 0.0 111.825 -173.251 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.39 -57.13 14.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.309 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.22 -30.96 70.15 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.937 -176.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.18 -39.0 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.166 177.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.8 -5.63 59.05 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.801 1.313 . . . . 0.0 110.403 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.94 59.34 10.31 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.001 172.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.48 135.91 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 111.962 -2.119 . . . . 0.0 109.815 -170.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.351 0.633 0 CA-C-N 112.872 -1.967 . . . . 0.0 109.053 -175.8 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -112.68 109.64 19.29 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.869 1.356 . . . . 0.0 109.288 176.06 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -89.45 115.93 27.25 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 110.42 -3.082 . . . . 0.0 106.917 175.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.92 149.23 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.905 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 165.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.29 0.9 OUTLIER -130.29 130.76 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.659 -3.882 . . . . 0.0 103.498 -173.465 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.55 128.99 38.44 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.162 166.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.7 145.93 16.18 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 111.732 -2.486 . . . . 0.0 109.032 173.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.47 120.74 47.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 118.231 -1.388 . . . . 0.0 107.787 175.184 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.53 144.14 18.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.079 -2.328 . . . . 0.0 110.99 -167.739 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.926 0 CA-C-N 110.48 -3.054 . . . . 0.0 112.243 160.679 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.674 0.75 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.0 p -135.73 -51.93 0.74 Allowed 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.303 172.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -74.9 -47.81 28.0 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.958 -174.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -32.34 73.36 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.649 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -80.21 9.43 5.68 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.242 176.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 1.9 11.67 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 172.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.0 32.14 76.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 113.581 -1.645 . . . . 0.0 111.544 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 161.19 28.02 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 116.373 -2.131 . . . . 0.0 107.296 174.229 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -90.41 104.41 17.0 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 114.64 -2.824 . . . . 0.0 104.203 160.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.29 141.14 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 111.179 -2.737 . . . . 0.0 107.936 -169.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 114.98 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.392 -163.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -85.8 97.93 10.46 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 173.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.56 -28.49 37.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.552 -166.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.03 -175.22 18.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.888 177.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -88.2 125.07 41.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 111.176 -2.512 . . . . 0.0 108.887 174.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.68 150.3 2.15 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 112.797 -2.001 . . . . 0.0 109.651 166.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -104.67 61.54 0.71 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 112.386 -2.188 . . . . 0.0 107.419 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -160.74 113.34 1.97 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.281 -168.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -47.87 -51.52 22.72 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 112.378 -2.192 . . . . 0.0 112.956 168.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -23.6 56.44 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 124.645 1.215 . . . . 0.0 112.956 -171.488 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -79.13 -39.32 33.89 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.233 0.958 . . . . 0.0 111.688 177.095 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -38.13 56.7 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 123.002 1.382 . . . . 0.0 112.241 -176.141 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.85 -39.9 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.916 160.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -71.19 -28.87 64.54 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.366 1.041 . . . . 0.0 111.109 -175.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.85 61.66 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 169.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.18 67.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 116.409 -2.116 . . . . 0.0 113.386 168.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.76 -42.13 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.839 173.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -77.09 -50.26 13.44 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.919 -1.491 . . . . 0.0 112.989 -169.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -99.59 -27.22 13.79 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 125.493 1.746 . . . . 0.0 113.788 -170.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 92.65 68.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 126.198 2.186 . . . . 0.0 110.989 167.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.95 133.63 56.24 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 110.933 -2.849 . . . . 0.0 112.081 -173.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.2 -34.37 15.84 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 112.812 -1.994 . . . . 0.0 108.831 159.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.47 144.95 36.33 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.824 176.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.451 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 79.0 mt -125.67 128.63 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 110.869 -2.878 . . . . 0.0 106.864 179.256 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.62 141.01 47.71 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.146 -177.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.02 121.74 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 110.729 -2.942 . . . . 0.0 106.62 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 112.69 25.22 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.292 178.487 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -100.77 116.62 33.1 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.262 -172.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.353 0.744 0 CA-C-N 110.914 -2.857 . . . . 0.0 110.276 -177.907 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.857 0 CA-C-O 122.109 0.838 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -30.41 69.3 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 112.052 -2.074 . . . . 0.0 111.563 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.42 -44.33 41.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.857 -1.52 . . . . 0.0 110.614 -168.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -77.19 -31.21 55.23 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.663 -176.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -78.08 -26.43 48.14 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 119.221 -0.992 . . . . 0.0 112.624 -173.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.41 111.7 0.84 Allowed 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.447 1.092 . . . . 0.0 113.073 -162.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.69 37.88 44.42 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.869 175.208 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.66 -25.9 57.2 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 124.783 0.931 . . . . 0.0 112.687 164.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 4.4 tmm_? -73.04 -41.66 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 117.213 -1.795 . . . . 0.0 107.363 179.14 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.415 19.6 tt0 -77.27 -25.95 51.95 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 174.474 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.358 13.3 tppt? -76.11 -29.11 57.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 125.264 1.602 . . . . 0.0 113.046 166.172 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.85 -40.44 47.73 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 123.447 1.594 . . . . 0.0 110.705 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.252 3.9 m-20 -72.1 -30.02 64.67 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 110.183 -3.189 . . . . 0.0 111.388 175.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.38 -31.24 63.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 112.416 -2.174 . . . . 0.0 112.52 169.604 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 3.13 7.25 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.868 179.036 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.29 19.34 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 124.254 0.972 . . . . 0.0 110.943 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.0 mt -141.06 70.27 1.35 Allowed 'General case' 0 C--N 1.346 0.446 0 CA-C-N 111.925 -2.138 . . . . 0.0 106.799 -178.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 116.85 32.42 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.135 -2.302 . . . . 0.0 109.268 175.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.43 -20.47 2.24 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 111.367 -2.651 . . . . 0.0 108.12 -165.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.4 ' CG2' ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -73.98 124.62 31.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 112.472 -1.864 . . . . 0.0 109.05 169.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.75 46.27 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.018 165.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 8.3 mt -112.83 136.67 52.2 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 123.531 1.634 . . . . 0.0 112.63 -168.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.92 136.9 46.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 109.713 -3.403 . . . . 0.0 108.869 164.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.21 123.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 112.666 -2.061 . . . . 0.0 107.685 174.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.19 24.05 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.363 -177.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.1 45.01 0.83 Allowed Glycine 0 C--N 1.353 1.478 0 CA-C-N 111.884 -2.158 . . . . 0.0 111.585 172.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 69.09 131.01 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 O-C-N 125.444 1.32 . . . . 0.0 109.846 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.12 -55.72 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.899 -162.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.354 0.765 0 CA-C-O 123.533 1.635 . . . . 0.0 108.55 179.41 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.437 8.2 m-90 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 118.292 2.701 . . . . 0.0 118.292 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.93 -48.22 16.82 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-N 119.87 0.989 . . . . 0.0 114.159 170.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.82 -53.35 13.6 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.148 173.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.65 -59.15 4.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 O-C-N 124.821 1.326 . . . . 0.0 111.218 -167.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.12 -27.86 66.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.34 -177.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.61 -49.99 75.45 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 117.423 -1.711 . . . . 0.0 111.67 173.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -73.45 -36.89 65.95 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.651 1.22 . . . . 0.0 112.222 -175.067 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.61 -44.94 48.2 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.767 1.292 . . . . 0.0 110.145 -170.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -72.86 -28.89 62.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.655 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.15 93.17 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.683 1.239 . . . . 0.0 111.616 175.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -80.14 -20.92 43.8 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.518 1.136 . . . . 0.0 111.865 178.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.411 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 161.16 -38.65 0.42 Allowed Glycine 0 C--N 1.36 1.862 0 C-N-CA 117.325 -2.369 . . . . 0.0 115.612 171.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -50.99 146.13 6.52 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.651 1.215 . . . . 0.0 113.759 -169.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.15 -73.21 0.26 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.038 178.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.175 0.922 . . . . 0.0 110.285 178.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.8 t -119.82 125.91 74.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.447 -173.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.7 119.26 68.53 Favored Pre-proline 0 C--N 1.362 1.116 0 O-C-N 124.412 1.07 . . . . 0.0 111.881 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.3 176.39 0.81 Allowed 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 121.61 1.54 . . . . 0.0 115.428 170.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.29 123.48 7.75 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 121.151 1.234 . . . . 0.0 110.975 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.52 26.91 10.29 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 113.05 -1.886 . . . . 0.0 112.235 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -84.5 134.53 34.43 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 114.041 -1.079 . . . . 0.0 108.127 173.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.433 ' HG ' ' H ' ' A' ' 125' ' ' THR . 10.2 p -62.06 135.4 94.8 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 113.084 -1.871 . . . . 0.0 107.612 166.403 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -61.75 -12.27 24.5 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 N-CA-C 114.658 0.984 . . . . 0.0 114.658 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -70.61 -29.68 66.14 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.652 1.22 . . . . 0.0 111.66 -176.512 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.433 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.4 m -59.07 -31.9 69.3 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.476 -1.693 . . . . 0.0 113.112 172.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.1 m -79.55 -30.87 41.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.782 2.551 . . . . 0.0 108.622 -173.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.08 -39.08 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.962 178.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.8 63.69 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.025 -1.898 . . . . 0.0 110.384 173.02 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -59.67 -55.22 37.17 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 112.998 -1.91 . . . . 0.0 112.07 171.233 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptp -69.59 -28.98 66.41 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.128 0.893 . . . . 0.0 111.942 -173.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.34 -57.11 8.17 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.628 1.205 . . . . 0.0 109.369 174.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.35 -35.5 65.3 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.115 -1.402 . . . . 0.0 114.71 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.6 t -70.64 -47.12 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.387 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.6 15.95 8.62 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.536 1.148 . . . . 0.0 112.689 -170.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.1 56.42 5.26 Favored Glycine 0 C--N 1.354 1.557 0 CA-C-O 122.031 0.795 . . . . 0.0 111.748 175.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.63 167.81 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 112.29 -1.955 . . . . 0.0 106.819 -174.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.397 174.904 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 123.274 1.512 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -117.13 127.11 53.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 109.66 -3.427 . . . . 0.0 108.671 -175.172 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -94.57 131.23 40.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.38 -2.191 . . . . 0.0 107.374 173.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.57 149.35 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 C-N-CA 128.664 2.786 . . . . 0.0 104.856 168.086 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 1.3 t -130.06 134.74 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 108.549 -3.932 . . . . 0.0 104.052 -172.016 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 129.62 39.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 125.244 1.59 . . . . 0.0 108.606 172.4 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.16 145.1 16.02 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 168.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.6 t -97.63 120.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 178.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -110.66 137.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.001 -164.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-N 111.423 -2.626 . . . . 0.0 111.22 -173.407 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.22 -0.463 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -81.78 -20.53 39.01 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 125.913 2.008 . . . . 0.0 110.54 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.73 -43.5 62.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.943 172.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -37.37 86.44 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.881 176.179 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -93.85 37.79 1.08 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.858 -1.973 . . . . 0.0 110.707 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.74 17.73 7.4 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.998 165.163 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.52 30.84 79.0 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-N 112.929 -1.941 . . . . 0.0 112.69 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -97.22 152.83 18.46 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 117.686 -1.605 . . . . 0.0 108.13 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -78.62 104.58 9.32 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.377 157.008 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.41 108.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 112.544 -2.116 . . . . 0.0 106.27 -174.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.4 t -101.01 110.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.373 -2.194 . . . . 0.0 107.921 -168.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.88 97.91 10.48 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 112.837 -1.983 . . . . 0.0 107.401 176.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.6 -35.23 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.061 -1.882 . . . . 0.0 110.681 -171.022 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.48 171.02 13.04 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.735 -1.575 . . . . 0.0 110.72 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -81.44 118.37 29.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 112.339 -1.93 . . . . 0.0 109.074 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.52 134.61 0.86 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 113.069 -1.878 . . . . 0.0 107.568 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.9 p -87.21 78.56 8.8 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.181 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 132.79 0.14 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.389 1.566 . . . . 0.0 112.979 171.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -50.8 -55.34 17.29 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.584 -3.007 . . . . 0.0 114.524 167.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -64.48 -17.95 64.32 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 118.879 -1.128 . . . . 0.0 111.905 -171.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -73.97 -43.73 57.17 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.441 173.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.3 -39.29 54.57 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.136 1.446 . . . . 0.0 113.107 -175.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.79 -33.49 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 109.96 -3.291 . . . . 0.0 112.809 161.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.47 -28.85 65.32 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.057 0.848 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.47 -28.72 63.09 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.684 1.24 . . . . 0.0 110.74 166.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.53 -30.23 66.92 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 116.048 -2.261 . . . . 0.0 113.044 167.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.86 -38.05 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.836 171.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.56 -50.39 14.01 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.868 -167.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 p -99.86 -27.73 13.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 112.855 -1.975 . . . . 0.0 113.708 -172.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp 89.97 63.88 0.01 OUTLIER 'General case' 0 C--N 1.342 0.269 0 O-C-N 125.81 1.944 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.97 122.65 27.54 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 110.476 -3.056 . . . . 0.0 111.244 -171.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.09 -28.76 63.52 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 126.266 2.228 . . . . 0.0 110.222 173.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.2 144.68 36.71 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.14 177.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.6 mt -127.0 123.94 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 109.977 -3.283 . . . . 0.0 107.94 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.9 t -115.17 114.86 25.84 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 112.667 -2.061 . . . . 0.0 110.443 -168.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.88 121.91 48.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.065 175.289 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 112.85 24.42 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 111.619 -2.537 . . . . 0.0 107.641 -175.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.8 m -100.63 154.78 18.3 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.987 -165.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.351 0.655 0 CA-C-N 111.278 -2.692 . . . . 0.0 108.045 175.738 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.503 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -27.91 39.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 110.785 -2.707 . . . . 0.0 111.813 -177.859 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -82.33 -44.52 19.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.46 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.32 -36.18 54.17 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.265 -171.183 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 27.6 p -78.06 -26.36 48.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 114.225 -1.352 . . . . 0.0 113.927 -170.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.7 111.95 6.56 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.09 -164.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.52 40.18 8.52 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 113.884 -1.507 . . . . 0.0 110.621 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 11.8 tp -75.38 -25.84 58.0 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 111.033 -2.583 . . . . 0.0 110.459 158.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.884 173.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.357 9.1 tp10 -77.32 -26.17 51.89 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 171.191 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -76.01 -29.45 58.15 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 125.605 1.815 . . . . 0.0 112.79 166.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -77.38 -39.25 47.96 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 125.369 1.668 . . . . 0.0 111.322 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.97 -37.96 75.94 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 109.607 -3.451 . . . . 0.0 108.357 174.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.276 28.2 mm-40 -73.22 -29.81 63.05 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.343 -2.208 . . . . 0.0 112.528 176.67 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -1.16 18.53 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.147 -1.842 . . . . 0.0 112.829 178.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.99 43.45 13.94 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 124.23 0.956 . . . . 0.0 110.723 179.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.1 mt -146.37 63.23 1.22 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 111.9 -2.15 . . . . 0.0 107.904 -177.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 124.6 47.71 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.619 -2.082 . . . . 0.0 110.66 -176.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.5 -27.96 2.58 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 107.475 -2.25 . . . . 0.0 107.475 -175.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD2' ' A' ' 88' ' ' LEU . 36.7 mt -66.6 124.86 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 110.538 -2.831 . . . . 0.0 111.376 168.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -95.79 136.53 36.08 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 110.985 -2.825 . . . . 0.0 108.863 177.009 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD1' ' HG ' ' A' ' 74' ' ' LEU . 2.1 mt -122.28 137.04 54.98 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.127 -1.851 . . . . 0.0 111.642 -169.461 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -110.04 138.32 46.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 109.357 -3.565 . . . . 0.0 108.942 -178.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.465 HG22 ' SG ' ' A' ' 71' ' ' CYS . 9.8 p -128.27 123.8 60.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.57 171.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.96 151.05 20.83 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.202 -168.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.78 -131.64 10.8 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 110.961 -2.619 . . . . 0.0 111.168 166.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -89.32 68.39 7.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 112.364 -1.918 . . . . 0.0 110.204 -165.282 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 pt -97.84 -60.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.811 -159.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.358 0.973 0 CA-C-O 125.419 2.533 . . . . 0.0 113.232 -163.775 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.602 3.7 m-90 . . . . . 0 C--O 1.222 -0.374 0 N-CA-C 119.924 3.305 . . . . 0.0 119.924 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.08 -33.06 20.02 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 115.453 1.29 . . . . 0.0 115.453 171.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.15 -47.04 15.37 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.638 174.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.73 -54.24 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.374 -171.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.36 -32.35 73.75 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.083 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.19 -50.04 75.57 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 117.468 -1.693 . . . . 0.0 111.829 173.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.95 -50.78 15.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.819 1.324 . . . . 0.0 112.658 -169.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.09 -38.44 90.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.57 -1.65 . . . . 0.0 109.584 -172.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -75.37 -28.5 59.54 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.557 -2.11 . . . . 0.0 112.656 174.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.2 70.17 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 123.948 0.78 . . . . 0.0 112.415 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -66.64 -55.09 16.82 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 117.779 -1.568 . . . . 0.0 109.753 170.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.5 20.04 0.1 OUTLIER Glycine 0 C--N 1.352 1.472 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.363 173.263 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.21 146.25 30.58 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.24 -84.64 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 118.956 -1.098 . . . . 0.0 113.878 -164.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -145.18 155.98 43.6 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 121.619 0.723 . . . . 0.0 111.155 -167.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.78 128.72 75.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.814 -168.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -101.56 144.63 28.95 Favored Pre-proline 0 C--N 1.363 1.163 0 O-C-N 124.542 1.151 . . . . 0.0 113.135 168.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.22 176.89 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.071 2.514 . . . . 0.0 115.684 175.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.86 118.34 5.25 Favored 'Trans proline' 0 C--N 1.363 1.304 0 C-N-CA 121.543 1.495 . . . . 0.0 110.903 163.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.85 60.16 1.81 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.654 178.277 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.46 40.34 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.84 -1.68 . . . . 0.0 109.977 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.583 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -49.8 160.93 0.57 Allowed Pre-proline 0 CA--C 1.551 0.982 0 CA-C-N 112.398 -2.183 . . . . 0.0 110.883 159.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.04 -18.76 6.09 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 120.985 1.124 . . . . 0.0 112.862 173.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.72 67.44 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.27 -172.089 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.583 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.4 m -67.2 -36.37 81.57 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.027 178.648 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.69 -33.53 41.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 127.15 2.781 . . . . 0.0 109.599 -175.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 80.5 mt -75.46 -36.26 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 111.77 -2.468 . . . . 0.0 111.279 177.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.4 -30.87 63.55 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.956 170.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' THR . 1.1 t70 -58.97 -55.24 37.72 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.266 -2.243 . . . . 0.0 112.012 170.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -68.83 -28.8 67.06 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.127 0.892 . . . . 0.0 111.6 -178.02 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.31 -57.25 13.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.22 -34.74 59.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 112.874 -1.966 . . . . 0.0 114.777 -176.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.13 -47.09 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.18 -176.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.54 -16.83 60.22 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.732 1.27 . . . . 0.0 110.024 175.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.04 64.48 3.24 Favored Glycine 0 C--N 1.357 1.718 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.684 172.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.79 148.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 112.068 -2.066 . . . . 0.0 110.237 -163.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 112.852 -1.976 . . . . 0.0 110.139 179.505 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.671 ' HZ1' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 123.058 1.409 . . . . 0.0 109.76 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -113.03 119.72 38.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 110.026 -3.261 . . . . 0.0 109.754 -169.451 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.671 ' HG1' ' HZ1' ' A' ' 3' ' ' LYS . 5.1 m -94.48 118.91 32.38 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 111.731 -2.486 . . . . 0.0 107.613 173.442 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.69 149.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.335 2.654 . . . . 0.0 105.058 163.189 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -130.3 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 CA-C-N 110.235 -3.166 . . . . 0.0 104.522 -171.93 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.75 129.3 38.47 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 116.911 -1.916 . . . . 0.0 110.919 170.523 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.92 145.27 15.89 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 167.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.75 120.74 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -108.8 117.88 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 112.422 -2.172 . . . . 0.0 109.661 -159.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.277 0 CA-C-N 112.097 -2.32 . . . . 0.0 110.495 -179.705 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 m -75.84 146.53 39.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.799 168.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 85.98 -41.05 0.04 OUTLIER 'General case' 0 C--N 1.351 0.669 0 CA-C-N 111.489 -2.596 . . . . 0.0 109.211 -178.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -26.62 67.69 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 112.378 -2.192 . . . . 0.0 109.747 162.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.61 -6.07 13.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.914 -2.403 . . . . 0.0 111.985 171.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.66 11.21 13.62 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 123.988 0.805 . . . . 0.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.36 74.7 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.438 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.56 161.32 27.96 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 116.234 -2.186 . . . . 0.0 109.594 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -79.22 103.9 9.47 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 114.722 -2.791 . . . . 0.0 104.437 154.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.303 0.3 OUTLIER -128.03 137.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 112.686 -2.052 . . . . 0.0 110.649 -178.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.12 110.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 112.073 -2.331 . . . . 0.0 108.557 -162.069 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -85.84 123.32 31.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.536 1.16 . . . . 0.0 108.787 176.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 pp -97.09 -35.63 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 111.313 -2.676 . . . . 0.0 111.071 -160.278 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.42 140.03 2.78 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.443 -176.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 130.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.092 -2.054 . . . . 0.0 106.56 159.503 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.27 89.62 0.1 Allowed 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.78 -175.288 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 157.03 24.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.265 -2.698 . . . . 0.0 107.738 -172.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.562 ' HG ' ' H ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -111.16 174.68 5.75 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.963 -1.926 . . . . 0.0 109.049 -179.727 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -47.85 -43.16 28.0 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 112.644 -2.071 . . . . 0.0 112.583 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.562 ' H ' ' HG ' ' A' ' 42' ' ' SER . 3.0 mp0 -62.21 -22.35 65.86 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 124.866 1.354 . . . . 0.0 112.791 -173.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -83.04 -40.44 19.92 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.763 1.289 . . . . 0.0 112.043 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.11 58.69 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 123.187 1.47 . . . . 0.0 112.005 -177.15 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -49.75 -49.49 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 109.58 -3.464 . . . . 0.0 110.682 159.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -70.32 -28.88 65.52 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.651 1.22 . . . . 0.0 112.25 -169.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -28.8 61.35 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.527 1.142 . . . . 0.0 111.564 171.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.7 -30.42 59.3 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 116.661 -2.016 . . . . 0.0 112.536 171.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.9 -36.49 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.221 174.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.04 -50.49 12.99 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.89 -171.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 p -103.08 -20.14 14.29 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 125.736 1.898 . . . . 0.0 115.418 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 97.74 54.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 125.748 1.905 . . . . 0.0 111.303 165.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -80.99 123.1 28.07 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 112.432 -2.167 . . . . 0.0 112.581 -169.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -89.91 -14.96 33.08 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.679 -2.055 . . . . 0.0 109.138 167.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.253 2.3 pt? -139.95 144.75 37.22 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.193 1.949 . . . . 0.0 112.85 171.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.0 mt -130.81 107.91 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 108.547 -3.933 . . . . 0.0 107.452 -176.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.82 114.47 28.7 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.605 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 m -106.42 148.25 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.992 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -107.65 128.84 54.91 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.497 164.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.7 m -100.61 118.24 36.37 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.363 1.665 . . . . 0.0 107.218 172.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.348 0.516 0 CA-C-N 112.173 -2.285 . . . . 0.0 109.59 175.658 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -28.37 38.94 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 113.844 -1.178 . . . . 0.0 110.635 178.778 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.84 -44.18 76.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.946 -174.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.25 -56.11 4.84 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.551 177.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.89 -30.94 71.23 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.328 -1.306 . . . . 0.0 113.774 -164.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -57.53 114.01 2.05 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.303 1.002 . . . . 0.0 112.186 -174.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.21 58.39 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.759 177.425 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 tp -75.62 -26.51 57.87 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.794 0.938 . . . . 0.0 111.461 160.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.75 82.24 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.164 174.13 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.426 13.8 tp10 -77.67 -26.47 50.35 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 118.258 2.688 . . . . 0.0 118.258 178.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.306 44.1 tttp -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 125.349 1.655 . . . . 0.0 113.128 168.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 91.3 m -77.38 -40.55 43.37 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 123.254 1.502 . . . . 0.0 111.519 175.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -63.73 -42.09 97.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 110.242 -3.163 . . . . 0.0 108.006 173.001 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.279 32.4 mt-10 -73.14 -29.7 63.06 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 112.143 -2.299 . . . . 0.0 112.674 -178.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.72 5.13 4.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.813 -177.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.86 42.74 8.04 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.908 172.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.65 -128.9 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 CA-C-N 112.37 -1.915 . . . . 0.0 106.188 173.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.253 0.9 OUTLIER -85.36 -170.61 3.21 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 123.655 1.693 . . . . 0.0 111.06 -172.909 . . . . . . . . 4 4 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.07 56.59 2.14 Favored Glycine 0 N--CA 1.44 -1.1 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 150.038 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.51 ' H ' ' C ' ' A' ' 84' ' ' LYS 0.261 2.0 tt -63.64 127.17 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 109.649 -3.276 . . . . 0.0 110.184 -161.635 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -87.75 116.78 26.14 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 109.579 -3.464 . . . . 0.0 106.572 -175.48 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.82 143.67 42.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 123.978 1.847 . . . . 0.0 108.804 -172.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -107.37 134.78 49.93 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 108.845 -3.798 . . . . 0.0 104.963 175.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.23 123.52 33.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 113.215 -1.811 . . . . 0.0 106.248 178.143 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.53 152.07 20.34 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.152 -163.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.47 -148.5 17.52 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 112.318 -1.941 . . . . 0.0 109.308 179.2 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.6 99.67 11.29 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 169.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.91 -18.8 6.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.047 -164.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 161.299 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 117.633 2.457 . . . . 0.0 117.633 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -82.29 -52.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-O 122.755 1.065 . . . . 0.0 110.375 151.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.34 -38.46 30.49 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.845 -2.434 . . . . 0.0 112.324 -164.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.09 -45.67 26.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 113.451 -1.704 . . . . 0.0 110.44 -157.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -74.27 -31.45 62.54 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.326 170.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.42 -43.52 68.04 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 117.735 -1.586 . . . . 0.0 112.003 172.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -50.07 12.77 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.125 -175.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -72.79 -43.38 62.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.222 -172.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -66.29 -28.65 68.86 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.233 175.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.59 -27.99 69.62 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 124.027 0.829 . . . . 0.0 112.854 173.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.24 -42.2 93.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.266 169.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.47 11.81 0.53 Allowed Glycine 0 CA--C 1.537 1.46 0 CA-C-N 112.775 -2.012 . . . . 0.0 112.616 171.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.14 140.78 58.9 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 122.456 1.122 . . . . 0.0 109.343 177.089 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.66 -60.96 2.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.837 -2.438 . . . . 0.0 110.035 -173.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -145.18 156.23 43.74 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.507 -1.678 . . . . 0.0 109.537 -174.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.7 t -123.04 128.62 75.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 112.937 -1.938 . . . . 0.0 110.026 176.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -89.31 145.91 35.01 Favored Pre-proline 0 C--N 1.357 0.91 0 O-C-N 124.775 1.297 . . . . 0.0 111.207 171.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -57.48 179.79 0.13 Allowed 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.78 2.32 . . . . 0.0 113.61 177.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -80.78 116.81 3.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 120.919 1.079 . . . . 0.0 110.15 168.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.64 69.44 1.39 Allowed Glycine 0 C--N 1.351 1.41 0 CA-C-N 113.32 -1.764 . . . . 0.0 111.407 179.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 137.48 40.35 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.255 -1.973 . . . . 0.0 111.105 -173.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.588 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -50.31 157.18 1.24 Allowed Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 112.307 -2.224 . . . . 0.0 110.92 161.777 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.08 -14.65 8.41 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 120.94 1.093 . . . . 0.0 113.175 173.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -29.94 66.48 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.42 -175.111 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.588 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -68.36 -36.99 80.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.134 177.863 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 m -79.47 -31.32 42.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 126.365 2.29 . . . . 0.0 109.607 -171.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.18 -42.85 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 O-C-N 126.742 2.526 . . . . 0.0 110.107 178.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.84 63.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.821 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.24 -49.74 68.48 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 126.36 2.287 . . . . 0.0 113.479 170.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -69.66 -28.95 66.32 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.374 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -70.86 -52.31 21.06 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.099 -177.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.09 -57.24 13.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 117.582 -1.647 . . . . 0.0 113.826 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.24 -30.33 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.236 -2.256 . . . . 0.0 114.278 -169.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt -93.93 -12.12 29.5 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 124.07 0.856 . . . . 0.0 111.153 -177.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.23 80.22 1.36 Allowed Glycine 0 C--N 1.352 1.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.491 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -149.01 155.8 8.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 112.159 -2.021 . . . . 0.0 107.037 -175.101 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.541 0.631 0 CA-C-N 112.955 -1.929 . . . . 0.0 109.288 -178.568 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -92.04 109.92 21.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.824 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -79.94 137.74 36.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 111.02 -2.809 . . . . 0.0 107.214 172.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.82 149.06 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 CA-C-O 124.484 2.088 . . . . 0.0 105.52 168.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.352 3.9 t -130.52 116.58 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.207 1 CA-C-N 107.782 -4.281 . . . . 0.0 104.113 -175.739 . . . . . . . . 3 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.03 128.93 44.63 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 116.812 -1.955 . . . . 0.0 109.952 177.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.98 145.63 16.01 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 111.467 -2.606 . . . . 0.0 109.757 177.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.89 120.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 125.181 1.166 . . . . 0.0 108.472 170.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.08 136.37 49.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 111.557 -2.565 . . . . 0.0 111.503 -160.704 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.048 0 CA-C-N 110.821 -2.899 . . . . 0.0 112.304 -179.692 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 125.006 2.336 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.401 ' HG ' ' H ' ' A' ' 27' ' ' PHE . 63.0 p 179.39 -66.52 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 106.399 -4.91 . . . . 0.0 102.868 -176.305 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.401 ' H ' ' HG ' ' A' ' 26' ' ' SER . 7.7 m-85 75.75 -58.03 0.56 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 126.569 2.418 . . . . 0.0 106.124 -168.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -44.94 11.37 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 112.303 165.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -105.63 12.51 31.07 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 125.066 1.479 . . . . 0.0 110.861 -175.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.9 3.36 34.28 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 117.873 -1.531 . . . . 0.0 110.005 153.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.49 80.65 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.363 -174.164 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.89 145.61 25.44 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.97 104.68 9.78 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 179.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.8 t -127.26 140.59 48.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 124.872 1.357 . . . . 0.0 109.715 -166.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.4 t -132.92 110.91 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 110.812 -2.904 . . . . 0.0 106.772 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -85.84 114.17 22.56 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.556 179.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 mt -68.95 -15.39 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.922 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.75 -173.58 45.48 Favored Glycine 0 C--N 1.357 1.708 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -176.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.95 118.98 29.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.139 169.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -162.35 145.88 11.69 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 110.674 -2.966 . . . . 0.0 108.198 172.227 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -109.03 59.55 0.6 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 111.717 -2.492 . . . . 0.0 109.205 -174.079 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.534 ' HG ' ' H ' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -159.87 123.51 3.66 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 112.655 -2.066 . . . . 0.0 110.999 -177.598 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.15 -28.75 3.12 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 111.609 -2.542 . . . . 0.0 113.334 163.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.083 0.864 . . . . 0.0 113.191 -171.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.534 ' H ' ' HG ' ' A' ' 42' ' ' SER . 38.2 t0 -84.08 -27.94 27.9 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.519 -179.033 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.63 59.29 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.783 1.278 . . . . 0.0 113.099 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.79 -48.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 111.012 -2.813 . . . . 0.0 110.23 158.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -72.89 -29.14 62.93 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.186 1.554 . . . . 0.0 113.262 -164.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.66 61.36 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.603 170.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.22 65.37 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 116.621 -2.031 . . . . 0.0 112.98 167.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -67.09 -40.99 86.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.81 173.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.96 -50.27 15.39 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.924 -167.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 p -102.19 -27.76 12.69 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 125.685 1.866 . . . . 0.0 114.511 -172.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 86.54 72.74 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.218 0 O-C-N 125.982 2.051 . . . . 0.0 109.546 177.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 133.51 55.2 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 109.92 -3.309 . . . . 0.0 110.222 176.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.99 -28.5 19.07 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.316 -1.766 . . . . 0.0 108.407 163.092 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 2.6 pt? -140.6 145.02 36.13 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.879 173.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.517 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 45.5 mt -121.48 127.96 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 112.522 -2.126 . . . . 0.0 107.592 173.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.1 114.89 25.92 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.168 -175.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.41 121.95 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 112.244 -2.253 . . . . 0.0 107.85 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -110.41 112.81 24.99 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.833 -174.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -135.12 164.44 27.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 124.604 2.145 . . . . 0.0 113.1 -172.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 N--CA 1.444 -0.773 1 CA-C-N 107.901 -4.227 . . . . 0.0 110.322 -168.08 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.29 -33.71 37.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.624 -0.788 . . . . 0.0 110.806 173.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.79 -44.52 45.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 113.538 -1.664 . . . . 0.0 110.576 -163.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -77.74 -56.29 4.64 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.417 1.073 . . . . 0.0 112.296 168.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.5 m -72.68 -25.95 61.44 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 118.468 -1.293 . . . . 0.0 113.397 -154.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.53 113.57 3.78 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.126 -1.03 . . . . 0.0 110.231 178.328 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.66 33.77 37.13 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.148 -176.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.36 -25.79 58.01 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 125.29 1.229 . . . . 0.0 109.481 152.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -53.65 -57.04 12.21 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 124.652 1.22 . . . . 0.0 109.907 167.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.463 11.1 pt-20 -77.27 -25.67 51.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.323 70.7 mmtt -76.16 -29.41 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 125.09 1.494 . . . . 0.0 113.756 168.641 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.9 t -76.19 -42.81 45.15 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.811 1.767 . . . . 0.0 109.47 174.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.253 5.5 m-20 -72.31 -27.85 62.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 109.766 -3.379 . . . . 0.0 111.8 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.291 17.3 mm-40 -73.52 -32.98 64.53 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.624 -2.08 . . . . 0.0 112.293 169.84 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 5.96 3.77 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.905 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.71 34.91 33.46 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.813 175.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -136.77 59.01 1.71 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.059 -2.07 . . . . 0.0 107.287 -175.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -94.06 112.4 24.22 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.034 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.31 -23.24 1.09 Allowed Glycine 0 C--N 1.343 0.971 0 CA-C-N 111.131 -2.758 . . . . 0.0 108.333 -166.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.76 124.75 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 112.309 -1.945 . . . . 0.0 109.451 167.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.34 135.85 33.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.581 -3.009 . . . . 0.0 107.352 160.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 23.6 mt -110.0 134.03 52.56 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.9 1.333 . . . . 0.0 111.181 -178.048 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -107.72 136.21 47.84 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.066 -2.788 . . . . 0.0 105.726 166.122 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.12 123.55 34.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.691 -1.595 . . . . 0.0 107.254 177.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.6 144.78 16.81 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.376 -172.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.47 -148.62 19.03 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.571 -1.814 . . . . 0.0 110.013 179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -92.73 74.8 4.98 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.384 -1.908 . . . . 0.0 106.486 165.227 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.8 pt -73.81 -15.77 16.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.381 -2.191 . . . . 0.0 112.207 -165.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 173.048 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.402 2.5 m-90 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 119.603 3.186 . . . . 0.0 119.603 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.56 -33.09 29.67 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 115.667 1.372 . . . . 0.0 115.667 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.2 -45.97 17.13 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 112.981 -1.918 . . . . 0.0 112.374 175.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.66 -51.98 45.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 O-C-N 124.584 1.177 . . . . 0.0 110.659 -171.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.51 -38.54 87.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 113.415 -1.721 . . . . 0.0 112.056 175.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.45 -38.58 87.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 118.423 -1.311 . . . . 0.0 112.365 175.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -74.57 -53.24 9.79 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.455 -170.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -75.12 -45.87 38.17 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.214 -172.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.84 -28.8 64.87 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.059 -174.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.534 1.146 . . . . 0.0 111.387 173.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.3 ptm -79.55 1.63 25.18 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.565 1.166 . . . . 0.0 113.091 177.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 138.49 -25.14 2.87 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 124.307 1.004 . . . . 0.0 114.144 159.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -52.52 143.62 15.22 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 122.582 1.182 . . . . 0.0 112.362 -170.109 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.67 -61.98 1.56 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 112.035 -2.348 . . . . 0.0 109.054 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -145.37 156.21 43.64 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.731 1.269 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.6 t -107.28 113.96 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 111.376 -2.647 . . . . 0.0 109.05 176.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -97.84 147.16 32.66 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 113.211 -1.813 . . . . 0.0 109.776 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.59 179.05 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 121.823 1.682 . . . . 0.0 114.336 176.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -86.3 124.27 2.39 Favored 'Trans proline' 0 C--N 1.362 1.239 0 C-N-CA 122.218 1.945 . . . . 0.0 108.937 160.225 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.25 42.9 7.74 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 113.45 -1.704 . . . . 0.0 111.416 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 137.37 41.42 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 112.793 -1.704 . . . . 0.0 108.992 171.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.548 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -58.39 128.81 83.2 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.624 159.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -77.92 -10.37 16.76 Favored 'Trans proline' 0 C--N 1.355 0.897 0 N-CA-C 114.938 1.092 . . . . 0.0 114.938 -178.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.274 0.984 . . . . 0.0 110.357 176.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' THR . . . . . 0.548 ' H ' ' HG ' ' A' ' 122' ' ' SER . 3.5 m -61.15 -33.51 73.53 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.873 -1.512 . . . . 0.0 113.021 173.003 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.27 -32.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 125.37 1.669 . . . . 0.0 108.708 -172.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.0 -40.44 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.826 -177.038 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.03 63.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.298 -1.773 . . . . 0.0 110.988 171.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.272 10.4 t70 -74.25 -28.93 61.46 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 117.294 -1.763 . . . . 0.0 113.537 175.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 14.1 ptp -77.94 -29.0 49.7 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.393 174.022 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -57.03 9.65 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.463 -1.295 . . . . 0.0 108.856 173.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -49.73 -43.47 47.82 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 113.021 -1.9 . . . . 0.0 114.952 177.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.81 -39.68 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.978 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.26 27.46 5.15 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.17 0.919 . . . . 0.0 111.814 -169.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.02 54.02 7.4 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.473 172.564 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.73 159.12 4.68 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 112.83 -1.685 . . . . 0.0 106.999 -176.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 CA--C 1.549 0.93 0 O-C-N 124.771 1.295 . . . . 0.0 111.176 175.362 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.1 mtt . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 121.611 0.72 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -49.6 29.31 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 113.214 -1.812 . . . . 0.0 110.564 -171.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.5 165.44 19.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.663 -2.062 . . . . 0.0 108.027 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -91.75 109.99 21.32 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.823 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.68 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 10.5 m -99.71 130.64 45.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 111.638 -2.528 . . . . 0.0 107.079 166.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -106.54 144.29 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 164.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.332 2.5 t -130.27 116.36 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 CA-C-N 110.553 -3.021 . . . . 0.0 103.786 -176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 129.07 55.31 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 118.331 -1.347 . . . . 0.0 108.614 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.13 145.71 16.0 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.323 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.19 120.67 46.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.864 -1.935 . . . . 0.0 105.88 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -96.8 129.18 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 110.787 -2.915 . . . . 0.0 108.589 -158.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.08 -176.58 53.16 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.404 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -87.02 -164.16 1.03 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 113.14 -1.53 . . . . 0.0 109.327 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 57.36 62.35 2.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.854 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.4 p -164.28 108.42 0.96 Allowed 'General case' 0 C--N 1.35 0.614 0 CA-C-N 111.8 -2.454 . . . . 0.0 108.901 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -76.65 -68.18 0.62 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-N 113.189 -1.823 . . . . 0.0 108.431 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 176.13 27.0 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 111.905 -2.407 . . . . 0.0 109.206 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.94 120.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.161 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.28 31.29 76.85 Favored Glycine 0 CA--C 1.538 1.531 0 CA-C-N 113.427 -1.715 . . . . 0.0 111.543 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -163.7 55.41 0.17 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 112.854 -1.673 . . . . 0.0 107.596 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -149.21 -37.58 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 CA-C-N 112.164 -2.289 . . . . 0.0 109.251 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.8 -15.81 8.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 113.241 -1.799 . . . . 0.0 109.748 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.1 -25.79 59.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.063 174.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -78.52 -39.72 37.2 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.323 167.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -57.38 -31.98 66.35 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.022 1.451 . . . . 0.0 112.25 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -63.57 -43.32 97.37 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 125.106 1.504 . . . . 0.0 111.93 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -75.36 -36.9 60.89 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.724 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.99 84.97 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.868 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -67.56 -20.45 65.4 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 111.886 -2.416 . . . . 0.0 112.604 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 6.13 16.81 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.737 0.648 . . . . 0.0 110.856 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 17.73 76.27 Favored Glycine 0 C--N 1.353 1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.007 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -96.01 151.15 19.7 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 117.511 -1.676 . . . . 0.0 108.012 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.98 109.76 12.32 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 164.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.69 109.04 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.79 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.93 114.08 27.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 111.186 -2.734 . . . . 0.0 107.451 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -85.87 103.55 14.71 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.514 -1.676 . . . . 0.0 107.223 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.0 mt -68.96 -24.64 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 111.938 -2.392 . . . . 0.0 110.437 -173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.53 149.66 8.97 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.784 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.7 t -80.95 131.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 113.734 -1.233 . . . . 0.0 107.712 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp 64.41 106.75 0.03 OUTLIER 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.61 1.819 . . . . 0.0 108.774 -161.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -162.44 141.93 9.4 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.465 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.645 -2.071 . . . . 0.0 109.046 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.43 -28.5 70.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 113.416 -1.72 . . . . 0.0 114.631 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.99 -14.69 63.17 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 117.614 -1.634 . . . . 0.0 112.162 173.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -84.1 -29.57 26.67 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 124.187 0.93 . . . . 0.0 111.575 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.4 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.2 OUTLIER -75.86 -43.23 46.68 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 123.513 1.625 . . . . 0.0 111.089 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.83 -39.66 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 109.579 -3.464 . . . . 0.0 111.205 162.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.81 -33.65 68.69 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.437 1.086 . . . . 0.0 111.641 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -67.66 -28.99 68.18 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 116.75 -1.595 . . . . 0.0 110.809 169.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.61 57.35 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.7 -1.2 . . . . 0.0 113.448 174.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.07 -37.46 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.032 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -73.91 -50.91 17.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.958 -173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.68 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 2.4 t -87.39 -45.07 10.88 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.658 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt 90.6 78.45 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.881 -159.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -66.37 133.94 51.52 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 112.337 -2.21 . . . . 0.0 108.867 175.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.34 -28.01 19.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.967 0.792 . . . . 0.0 110.112 161.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.269 2.4 pt? -140.5 145.08 36.4 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.397 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.499 HD13 ' SG ' ' A' ' 78' ' ' CYS . 52.6 mt -132.07 115.93 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.345 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.79 141.16 31.13 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 111.333 -2.667 . . . . 0.0 110.166 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.0 m -115.57 141.53 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.685 166.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.27 112.98 23.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.3 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -104.35 125.79 50.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 113.972 -1.467 . . . . 0.0 108.044 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -133.88 34.0 3.41 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.582 1.176 . . . . 0.0 110.047 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.66 1.56 0.07 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.565 -1.198 . . . . 0.0 113.724 -163.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.91 16.39 78.26 Favored Glycine 0 C--N 1.352 1.469 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.829 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -135.44 32.65 3.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 122.408 1.099 . . . . 0.0 110.343 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.02 90.78 Favored Glycine 0 C--N 1.349 1.278 0 CA-C-N 112.354 -2.203 . . . . 0.0 111.966 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.8 -30.98 66.1 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.406 -1.897 . . . . 0.0 111.751 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.51 -44.45 98.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.864 -165.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -77.65 -52.05 9.63 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.544 1.152 . . . . 0.0 112.101 164.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.6 p -66.66 -27.61 67.8 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -149.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.87 114.85 1.17 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 125.192 1.557 . . . . 0.0 112.528 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.29 36.19 18.29 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 112.215 -2.266 . . . . 0.0 112.346 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.47 -25.9 57.77 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.02 1.071 . . . . 0.0 111.777 156.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -66.26 -41.25 90.19 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 117.184 -1.806 . . . . 0.0 108.391 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.431 2.4 tm-20 -77.45 -26.19 51.26 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 174.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.33 17.2 ttpp -76.0 -28.82 57.94 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.024 1.453 . . . . 0.0 112.997 167.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.499 ' SG ' HD13 ' A' ' 58' ' ' ILE . 86.9 m -77.1 -38.04 53.11 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 125.275 1.61 . . . . 0.0 110.163 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.97 -45.04 91.51 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 110.492 -3.049 . . . . 0.0 110.017 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.349 1.6 pt-20 -73.28 -29.91 63.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 109.583 -3.462 . . . . 0.0 113.039 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -0.43 16.07 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 112.784 -2.007 . . . . 0.0 112.801 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.99 41.95 21.22 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 122.678 1.154 . . . . 0.0 110.307 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.4 mt -145.17 48.3 1.29 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.234 -2.483 . . . . 0.0 107.342 -174.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.16 125.47 35.95 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.402 -2.181 . . . . 0.0 109.687 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.33 -29.9 2.57 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.41 HG21 ' CD2' ' A' ' 88' ' ' LEU . 1.6 mp -67.46 124.68 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 111.685 -2.257 . . . . 0.0 111.102 173.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -98.14 135.53 39.66 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 109.017 -3.72 . . . . 0.0 108.325 170.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.41 ' CD2' HG21 ' A' ' 86' ' ' ILE . 5.0 mt -110.02 148.29 31.95 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.278 1.513 . . . . 0.0 110.948 -172.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -107.69 145.43 33.42 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 109.924 -3.307 . . . . 0.0 106.851 168.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.12 123.71 34.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 113.122 -1.854 . . . . 0.0 107.353 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.15 22.27 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.657 -1.611 . . . . 0.0 111.5 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 113.06 -141.32 16.85 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 112.235 -1.983 . . . . 0.0 110.733 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -82.57 71.93 9.64 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.952 -1.624 . . . . 0.0 108.302 171.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -68.71 -35.78 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-N 110.254 -3.157 . . . . 0.0 111.254 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.1 t -126.37 176.7 6.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.423 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -61.21 101.59 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.427 1.079 . . . . 0.0 109.347 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.72 -98.95 0.88 Allowed Glycine 0 C--N 1.354 1.566 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.788 -161.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.4 129.63 0.7 Allowed 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.332 -1.934 . . . . 0.0 107.965 166.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -73.8 -112.88 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.291 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -147.34 106.98 3.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.525 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.334 1.6 m-90 -7.47 -58.41 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 168.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.85 -40.5 84.79 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 120.278 1.135 . . . . 0.0 114.764 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -80.05 -36.67 35.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.635 -2.075 . . . . 0.0 111.949 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -76.25 -44.94 36.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.974 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.62 -27.91 61.53 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 114.049 -1.432 . . . . 0.0 111.155 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.26 -34.51 75.28 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 118.938 -1.105 . . . . 0.0 111.195 168.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -53.09 24.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -72.71 -45.63 57.75 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.906 -1.952 . . . . 0.0 112.088 -167.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.65 -28.83 68.05 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.25 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.38 84.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.257 0.973 . . . . 0.0 111.726 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 82.8 mmm -74.06 -35.98 64.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.583 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.12 -17.05 3.19 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 113.817 -1.538 . . . . 0.0 112.99 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -60.39 115.73 3.77 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.032 0.92 . . . . 0.0 109.598 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.99 -38.97 63.98 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 112.253 -2.248 . . . . 0.0 111.498 -165.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -133.83 139.13 46.06 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.195 -1.82 . . . . 0.0 109.484 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.3 t -123.22 113.8 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.313 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -90.77 142.45 27.74 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.829 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -63.66 -177.11 0.38 Allowed 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.08 1.854 . . . . 0.0 113.738 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.49 122.77 2.45 Favored 'Trans proline' 0 C--N 1.362 1.246 0 C-N-CA 121.866 1.711 . . . . 0.0 110.493 167.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.28 55.91 2.8 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.874 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.1 137.37 37.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.143 -2.028 . . . . 0.0 108.902 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.58 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.1 p -54.62 141.28 55.95 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 113.205 -1.816 . . . . 0.0 109.157 162.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.25 -9.82 17.67 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 122.686 0.835 . . . . 0.0 112.548 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.92 71.16 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.361 1.038 . . . . 0.0 111.275 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.58 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -71.14 -37.24 72.27 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.209 176.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 m -79.5 -32.11 42.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 126.38 2.3 . . . . 0.0 109.296 -170.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.21 -41.99 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 126.415 2.322 . . . . 0.0 110.135 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.99 63.82 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.129 -1.851 . . . . 0.0 110.523 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.91 -55.05 25.53 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.335 171.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.9 ptp -65.19 -29.34 70.15 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.85 -57.07 6.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 118.709 -1.197 . . . . 0.0 109.88 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.43 -35.18 69.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.901 -1.5 . . . . 0.0 114.545 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.29 -42.75 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.919 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 27.8 mt -99.79 23.91 9.07 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.322 1.013 . . . . 0.0 112.024 -166.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.67 52.64 6.37 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.223 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -148.68 160.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 112.726 -1.737 . . . . 0.0 106.743 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.548 0.901 0 O-C-N 124.719 1.262 . . . . 0.0 111.232 174.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 121.375 0.607 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.84 -29.77 63.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.269 170.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 165.31 11.29 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.978 -2.374 . . . . 0.0 106.42 170.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -104.09 109.77 21.69 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 123.087 1.423 . . . . 0.0 109.449 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -90.74 129.51 36.82 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 109.986 -3.279 . . . . 0.0 106.369 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.83 137.9 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 C-N-CA 126.676 1.99 . . . . 0.0 106.017 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.299 16.7 t -130.26 116.57 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.902 0 CA-C-N 109.223 -3.626 . . . . 0.0 104.931 -170.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.38 128.49 47.12 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 117.426 -1.71 . . . . 0.0 110.908 -176.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.438 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.48 146.15 16.1 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 110.474 -3.057 . . . . 0.0 112.273 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 t -97.35 120.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 C-N-CA 116.984 -1.886 . . . . 0.0 106.245 160.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -96.43 144.17 10.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 111.807 -2.451 . . . . 0.0 107.714 -165.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.57 104.24 0.89 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 -163.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.98 123.27 12.99 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.266 -1.967 . . . . 0.0 110.772 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 71.01 98.44 0.07 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 112.542 -2.117 . . . . 0.0 109.719 -173.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.9 m -156.72 149.12 23.32 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 112.733 -2.03 . . . . 0.0 108.522 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.57 8.5 24.83 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 112.965 -1.925 . . . . 0.0 114.122 -161.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.74 45.19 8.05 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.525 1.14 . . . . 0.0 113.48 165.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.38 -37.56 57.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.62 48.91 0.89 Allowed Glycine 0 C--N 1.345 1.056 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.894 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -168.22 35.26 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.718 -1.741 . . . . 0.0 109.301 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' C ' ' H ' ' A' ' 23' ' ' LEU . 64.6 mmtt -141.78 103.84 4.42 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.21 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm 87.07 -34.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 112.444 -2.162 . . . . 0.0 109.754 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 21' ' ' LYS . 4.0 tt -74.22 -34.31 63.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.713 174.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.67 -35.77 75.43 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.284 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -69.59 -31.71 70.02 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.026 -2.352 . . . . 0.0 110.948 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -55.91 -41.5 74.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.976 1.423 . . . . 0.0 113.631 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.05 -39.07 61.2 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.238 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -31.15 72.25 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.506 -2.133 . . . . 0.0 110.423 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -80.06 -20.7 44.62 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 112.005 -2.361 . . . . 0.0 112.075 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 2.33 49.0 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.948 0.78 . . . . 0.0 110.524 -168.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.32 77.05 Favored Glycine 0 C--N 1.355 1.599 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.837 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -85.04 157.11 20.83 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.206 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -80.99 104.84 11.77 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 116.123 -2.231 . . . . 0.0 106.318 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 t -127.23 115.93 42.42 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 124.969 1.418 . . . . 0.0 111.988 -171.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.97 110.8 22.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 111.294 -2.684 . . . . 0.0 106.677 159.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -93.43 105.18 17.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.421 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.6 mt -68.87 -31.26 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.239 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.16 -163.29 50.5 Favored Glycine 0 C--N 1.356 1.64 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.023 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.92 170.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 112.783 -1.709 . . . . 0.0 108.959 174.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? 60.78 73.57 0.48 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -174.41 160.71 3.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 111.162 -2.745 . . . . 0.0 108.062 -167.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 m -153.14 173.41 15.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.916 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -52.31 -28.93 21.07 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -164.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.93 -39.04 73.75 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 124.878 1.361 . . . . 0.0 112.106 173.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.39 -33.33 58.87 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.173 -1.831 . . . . 0.0 112.414 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.438 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.1 OUTLIER -76.24 -35.22 59.09 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 123.508 1.623 . . . . 0.0 112.67 -177.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -49.94 -45.32 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-N 110.153 -3.203 . . . . 0.0 111.169 159.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -75.04 -28.96 60.65 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.764 1.29 . . . . 0.0 112.789 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.19 -28.5 61.31 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.01 0.819 . . . . 0.0 110.536 168.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.27 65.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 117.289 -1.765 . . . . 0.0 113.101 165.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.46 -41.81 86.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.665 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -75.24 -50.31 16.54 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.805 -168.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -101.64 -24.91 14.04 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 125.725 1.891 . . . . 0.0 114.851 -172.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttp 87.18 71.35 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.819 1.949 . . . . 0.0 109.776 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.05 135.67 57.7 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 109.8 -3.364 . . . . 0.0 111.034 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.28 -28.56 18.7 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.3 -1.773 . . . . 0.0 108.858 159.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.267 2.6 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.964 1.364 . . . . 0.0 112.617 176.095 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.486 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 28.2 mt -125.75 131.03 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.388 -2.642 . . . . 0.0 107.785 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.85 139.85 46.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.379 -2.192 . . . . 0.0 109.684 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.05 121.79 34.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 111.752 -2.476 . . . . 0.0 106.824 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 t -115.04 127.96 55.96 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 113.901 -1.5 . . . . 0.0 108.675 -173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -127.69 137.02 52.36 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.801 -1.999 . . . . 0.0 109.984 -163.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.34 -68.12 0.84 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.245 -160.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -41.89 59.71 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.515 1.15 . . . . 0.0 108.847 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.13 29.01 0.04 OUTLIER Glycine 0 C--N 1.35 1.351 0 CA-C-N 111.61 -2.541 . . . . 0.0 110.756 -161.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -92.47 23.83 3.78 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.703 -1.248 . . . . 0.0 112.369 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.541 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.12 -37.77 20.77 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 173.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -79.85 -29.89 40.22 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.754 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.1 mt -91.36 -45.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.355 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.43 -56.71 4.23 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 118.289 -1.364 . . . . 0.0 113.526 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.541 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -78.39 -25.83 46.29 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 112.291 -2.231 . . . . 0.0 112.713 -156.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.12 124.5 21.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.619 -169.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.21 25.85 46.53 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 112.582 -2.099 . . . . 0.0 111.826 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 16.9 tp -75.6 -25.8 57.3 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.414 0.714 . . . . 0.0 112.187 162.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 -64.82 -42.7 94.77 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 116.041 -2.264 . . . . 0.0 109.102 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.345 30.1 mt-10 -77.6 -26.57 50.77 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 118.341 2.719 . . . . 0.0 118.341 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.287 75.3 mttt -76.49 -29.26 56.76 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 125.959 2.037 . . . . 0.0 113.337 165.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.5 t -77.14 -33.48 56.66 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 123.201 1.477 . . . . 0.0 110.84 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -65.24 -42.81 92.98 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 110.749 -2.932 . . . . 0.0 109.21 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 1.6 pt-20 -73.0 -29.87 63.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 109.83 -3.35 . . . . 0.0 111.938 -176.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.15 11.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.079 -2.328 . . . . 0.0 112.737 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 37.2 39.1 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.1 mt -142.24 48.72 1.56 Allowed 'General case' 0 C--N 1.347 0.46 0 CA-C-N 111.739 -2.231 . . . . 0.0 108.485 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 113.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.917 171.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.54 -27.58 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 111.753 -2.476 . . . . 0.0 108.433 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.91 124.92 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 111.839 -2.18 . . . . 0.0 109.948 167.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -87.85 134.02 33.78 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 110.648 -2.978 . . . . 0.0 107.67 162.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.486 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 17.5 mt -109.96 133.6 53.01 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.647 1.213 . . . . 0.0 111.132 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 110.762 -2.926 . . . . 0.0 106.18 171.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.4 p -136.11 123.65 34.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 173.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.16 152.16 20.29 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.501 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.38 -154.27 18.5 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 111.498 -2.351 . . . . 0.0 109.699 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -83.59 91.91 7.54 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 112.435 -1.883 . . . . 0.0 108.421 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 pt -93.73 -11.53 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 112.489 -2.142 . . . . 0.0 112.097 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 96' ' ' VAL . 93.7 t -140.46 171.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.411 ' H ' ' CG1' ' A' ' 95' ' ' VAL . 58.5 t -46.77 155.35 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 112.082 -2.326 . . . . 0.0 109.902 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -36.77 -46.67 1.18 Allowed Glycine 0 CA--C 1.545 1.962 0 CA-C-N 113.852 -1.522 . . . . 0.0 113.533 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -78.36 110.23 13.22 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.131 -1.534 . . . . 0.0 109.205 163.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 133.43 8.27 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.733 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.94 86.04 2.15 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 113.032 -1.895 . . . . 0.0 110.281 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.3 m-90 6.84 -62.37 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 157.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.25 -42.45 67.36 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 CA-C-N 120.831 1.333 . . . . 0.0 115.2 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.09 -38.34 31.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.672 -2.058 . . . . 0.0 112.102 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.72 -41.31 70.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.915 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -74.03 -31.95 63.13 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.225 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -58.83 -39.39 81.08 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.636 1.21 . . . . 0.0 111.005 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -76.62 -44.56 33.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.424 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.01 -42.9 56.47 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.571 1.17 . . . . 0.0 111.28 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -69.4 -28.99 66.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.023 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.95 61.62 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.447 1.092 . . . . 0.0 111.072 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -39.47 83.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.743 173.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.43 -48.57 0.26 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 113.493 -1.685 . . . . 0.0 112.033 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -48.75 141.4 7.37 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 125.126 1.133 . . . . 0.0 113.136 -160.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.04 -51.71 36.11 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.319 -2.219 . . . . 0.0 109.463 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -145.21 141.24 28.49 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.666 -2.061 . . . . 0.0 110.081 -169.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.31 113.91 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 112.634 -2.075 . . . . 0.0 109.729 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.48 143.4 28.08 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.671 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -54.53 176.19 0.12 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.097 2.531 . . . . 0.0 115.553 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.27 112.2 2.75 Favored 'Trans proline' 0 C--N 1.363 1.29 0 N-CA-C 108.983 -1.199 . . . . 0.0 108.983 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.89 74.58 0.78 Allowed Glycine 0 C--N 1.351 1.416 0 CA-C-N 112.984 -1.917 . . . . 0.0 111.063 -173.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.49 137.85 33.11 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.445 -1.878 . . . . 0.0 109.683 -178.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.566 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -51.45 157.13 1.82 Allowed Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.028 159.131 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -83.08 -15.47 7.93 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.154 1.236 . . . . 0.0 114.065 173.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.4 -29.88 67.72 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.625 1.203 . . . . 0.0 110.885 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.566 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.1 m -68.29 -39.04 82.21 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 113.467 -1.697 . . . . 0.0 112.47 179.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m -79.44 -37.65 36.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.318 2.261 . . . . 0.0 108.603 -168.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.8 mt -72.88 -40.91 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 111.632 -2.531 . . . . 0.0 110.499 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.84 63.72 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.984 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -70.42 -37.78 74.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 116.599 -2.04 . . . . 0.0 113.314 173.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 10.5 ptp -72.91 -28.9 62.73 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.41 1.005 . . . . 0.0 111.958 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.95 -54.6 31.94 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.427 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -70.68 -47.79 58.09 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.027 -1.897 . . . . 0.0 114.413 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.69 -38.17 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.461 1.101 . . . . 0.0 112.245 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -79.7 -13.5 59.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.523 1.139 . . . . 0.0 111.349 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.56 81.48 0.57 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.56 157.86 16.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-N 112.607 -1.797 . . . . 0.0 107.685 -170.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 112.461 -2.154 . . . . 0.0 110.243 -176.034 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' H2 ' ' HZ1' ' A' ' 54' ' ' LYS . 23.3 ptt? . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 122.001 0.905 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -115.37 74.09 0.87 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.943 -1.935 . . . . 0.0 108.916 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.405 ' NZ ' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -123.43 165.36 17.18 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.021 -2.354 . . . . 0.0 106.15 170.803 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -78.86 109.72 13.39 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 118.073 -1.451 . . . . 0.0 108.864 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.405 ' HG1' ' NZ ' ' A' ' 3' ' ' LYS . 93.9 m -99.9 116.97 33.2 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 110.669 -2.969 . . . . 0.0 106.504 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.92 135.09 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 CA-C-N 112.714 -2.039 . . . . 0.0 105.655 166.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.298 1.3 t -130.13 116.86 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 109.163 -3.653 . . . . 0.0 103.62 -164.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.05 129.25 39.78 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.462 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.67 145.94 16.19 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 110.945 -2.843 . . . . 0.0 108.878 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.39 120.56 46.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 172.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.82 117.74 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.071 -170.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.76 49.05 0.03 OUTLIER Glycine 0 C--N 1.347 1.163 0 CA-C-N 111.156 -2.747 . . . . 0.0 111.581 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 t 58.9 167.72 0.06 Allowed 'General case' 0 C--N 1.348 0.537 0 CA-C-N 111.581 -2.309 . . . . 0.0 112.694 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 111.88 1.17 Allowed 'General case' 0 C--N 1.351 0.645 0 CA-C-N 112.134 -2.303 . . . . 0.0 111.09 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.5 p -164.85 -152.23 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.453 -2.158 . . . . 0.0 107.769 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -83.65 163.19 20.45 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.507 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.6 67.9 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.223 -174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t 47.22 101.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 112.064 -2.334 . . . . 0.0 112.04 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.69 -58.35 2.96 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -172.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.08 154.57 37.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 112.359 -1.92 . . . . 0.0 108.923 166.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 mttm 103.42 -53.04 0.0 OUTLIER 'General case' 0 C--N 1.352 0.702 0 O-C-N 126.404 2.315 . . . . 0.0 107.15 -157.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 mt -85.67 -21.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 112.817 -1.992 . . . . 0.0 110.942 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.13 -52.42 12.6 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 117.648 -1.621 . . . . 0.0 109.68 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -66.0 -47.06 75.74 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.481 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -59.95 -35.02 74.05 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.712 1.258 . . . . 0.0 112.317 -172.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -69.32 -34.6 74.9 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 125.248 1.592 . . . . 0.0 111.77 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -79.02 -35.76 42.21 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.307 -1.77 . . . . 0.0 110.139 -174.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -38.99 79.03 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.221 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -62.21 -20.54 64.29 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.034 -2.348 . . . . 0.0 112.958 170.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 7.0 33.04 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 121.39 0.614 . . . . 0.0 110.058 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.52 18.72 78.85 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.712 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.65 157.17 19.17 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 116.975 -1.89 . . . . 0.0 108.933 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.92 104.73 8.66 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 162.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.56 129.24 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.932 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.08 113.39 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 110.667 -2.969 . . . . 0.0 106.989 -168.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -85.75 102.93 14.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.293 -2.231 . . . . 0.0 106.863 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.2 pp -71.1 -28.47 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 111.007 -2.815 . . . . 0.0 110.523 -169.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.17 159.85 10.05 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.303 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.96 117.77 31.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.313 -1.943 . . . . 0.0 107.381 171.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 174.67 148.88 0.08 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.716 -2.038 . . . . 0.0 107.389 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -91.21 106.94 18.87 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.256 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t 178.17 117.54 0.04 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.82 166.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -48.01 -55.06 10.97 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.239 -1.8 . . . . 0.0 113.344 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.53 -17.81 60.63 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 124.253 0.97 . . . . 0.0 112.414 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.13 -37.54 33.34 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.896 0.747 . . . . 0.0 111.564 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -40.97 50.08 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 123.191 1.472 . . . . 0.0 111.616 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.71 -38.65 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 109.753 -3.385 . . . . 0.0 112.085 160.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -68.16 -28.76 67.57 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.146 0.904 . . . . 0.0 111.064 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.18 61.28 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 124.605 1.19 . . . . 0.0 113.262 168.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.74 -30.53 69.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 117.339 -1.744 . . . . 0.0 114.643 162.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.58 -40.36 71.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.705 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.05 -50.43 13.12 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 113.909 -1.496 . . . . 0.0 109.134 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.33 -11.36 17.2 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 110.523 -3.035 . . . . 0.0 112.709 -162.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.458 ' HZ1' ' H2 ' ' A' ' 1' ' ' MET . 88.8 mttt 79.45 61.74 0.02 OUTLIER 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.033 1.458 . . . . 0.0 110.842 164.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 140.04 57.18 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.255 -2.248 . . . . 0.0 112.068 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.63 -31.15 16.76 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.472 150.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.255 2.6 pt? -140.46 144.88 36.32 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 123.111 1.434 . . . . 0.0 112.301 -177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 23.1 mt -125.31 130.02 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 110.528 -3.033 . . . . 0.0 108.088 176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.3 m -115.03 141.08 48.49 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 111.75 -2.477 . . . . 0.0 108.709 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.15 121.75 47.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 111.836 -2.438 . . . . 0.0 106.698 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 112.4 24.54 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.4 p -103.83 124.75 49.5 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.714 -1.584 . . . . 0.0 108.512 -172.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -128.06 34.13 4.64 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.106 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -157.67 -177.61 6.71 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.603 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.81 41.21 2.99 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.895 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.74 23.45 3.11 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 113.817 -1.191 . . . . 0.0 109.743 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.8 -18.88 77.77 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.423 -1.717 . . . . 0.0 110.984 171.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.6 -44.47 42.86 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.56 -1.32 . . . . 0.0 109.765 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -44.77 32.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 CA-C-N 111.212 -2.722 . . . . 0.0 110.717 -167.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.72 -51.93 9.77 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.713 -2.039 . . . . 0.0 112.863 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.18 -44.42 53.52 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.534 1.147 . . . . 0.0 112.257 -166.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -75.29 135.39 40.92 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 118.891 -1.123 . . . . 0.0 110.831 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 17.75 64.08 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 112.166 -2.288 . . . . 0.0 111.599 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -75.52 -25.78 57.51 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.954 1.032 . . . . 0.0 111.002 157.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -46.87 86.61 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.873 171.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.442 28.5 mm-40 -77.38 -26.27 51.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 2.2 mmmp? -76.24 -29.56 57.56 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 125.427 1.704 . . . . 0.0 113.228 166.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 t -77.36 -32.12 54.82 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.38 1.562 . . . . 0.0 111.55 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.08 -44.26 80.52 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 110.481 -3.054 . . . . 0.0 109.52 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.1 -29.66 63.08 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 109.304 -3.589 . . . . 0.0 112.233 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.78 -0.08 14.67 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.641 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 38.98 34.33 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -142.14 35.54 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 111.787 -2.207 . . . . 0.0 109.711 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.9 122.07 24.32 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.758 -1.565 . . . . 0.0 110.142 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.16 -33.35 1.24 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.05 124.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 111.367 -2.417 . . . . 0.0 111.562 171.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -95.78 142.82 27.61 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 109.317 -3.583 . . . . 0.0 108.822 171.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.1 mt -116.71 140.28 49.6 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 124.008 1.861 . . . . 0.0 112.188 -165.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 109.569 -3.469 . . . . 0.0 106.804 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.04 123.56 34.67 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-N 113.629 -1.623 . . . . 0.0 106.636 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.02 149.6 16.92 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 113.792 -1.549 . . . . 0.0 113.562 -166.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.42 -131.49 10.74 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 111.626 -2.287 . . . . 0.0 110.759 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -92.78 76.97 4.87 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.048 -1.076 . . . . 0.0 109.059 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.23 -11.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-N 113.023 -1.899 . . . . 0.0 112.215 -172.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.26 161.41 36.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 168.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.5 88.94 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.668 -2.514 . . . . 0.0 110.695 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.22 -97.09 0.35 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.717 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tptt 73.75 164.58 0.28 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.327 -1.937 . . . . 0.0 110.934 166.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.36 149.73 16.13 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.538 171.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -80.71 81.13 7.04 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 125.257 1.598 . . . . 0.0 110.136 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.326 1.2 m-90 77.84 13.18 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 163.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.19 -52.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 122.423 1.901 . . . . 0.0 112.955 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.42 -29.93 37.66 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.324 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.5 t -74.22 -36.44 43.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.117 -1.856 . . . . 0.0 110.79 -167.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.09 -46.2 44.43 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.345 172.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -49.85 -43.96 49.36 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.442 1.089 . . . . 0.0 112.431 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.63 -53.18 9.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.521 -172.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -75.14 -45.47 40.68 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.863 -170.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -60.23 -44.94 94.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.898 -1.955 . . . . 0.0 111.729 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.55 72.56 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.77 1.294 . . . . 0.0 112.172 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 33.8 mmt -75.96 -25.19 55.65 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.797 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.29 -6.38 0.23 Allowed Glycine 0 C--N 1.359 1.841 0 C-N-CA 117.936 -2.078 . . . . 0.0 115.507 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -74.38 138.38 43.36 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 118.511 -1.276 . . . . 0.0 110.049 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.59 -62.68 1.7 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-N 112.459 -2.155 . . . . 0.0 109.438 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -145.17 156.06 43.65 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.428 1.705 . . . . 0.0 109.746 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.8 113.94 45.63 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 111.41 -2.632 . . . . 0.0 107.257 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -76.98 142.43 69.1 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.164 173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -54.91 -179.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.282 2.655 . . . . 0.0 113.797 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -83.58 114.92 2.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 N-CA-C 109.377 -1.047 . . . . 0.0 109.377 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.88 71.67 1.11 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.193 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.67 40.02 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.154 -2.023 . . . . 0.0 110.692 -174.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.522 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -44.45 151.61 0.57 Allowed Pre-proline 0 CA--C 1.552 1.022 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.25 157.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.12 -10.02 10.36 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 121.31 1.34 . . . . 0.0 113.262 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.98 -29.77 66.94 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 124.342 1.026 . . . . 0.0 111.135 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.522 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -71.6 -32.97 68.6 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 125.277 1.61 . . . . 0.0 112.399 177.336 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.5 m -79.64 -36.39 37.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 126.324 2.265 . . . . 0.0 108.92 -173.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.4 mt -75.13 -37.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 111.925 -2.398 . . . . 0.0 110.087 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.9 64.13 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.302 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.19 -55.46 24.89 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 116.132 -2.227 . . . . 0.0 112.387 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 7.7 ptp -71.12 -28.94 64.66 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.693 0.621 . . . . 0.0 112.111 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -70.68 -57.33 4.8 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 117.419 -1.712 . . . . 0.0 109.484 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.96 -35.2 74.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.726 -170.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -78.73 -33.95 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.264 -1.335 . . . . 0.0 112.33 -174.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.6 mt -88.85 -3.66 58.69 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 124.237 0.961 . . . . 0.0 111.661 -175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.34 63.78 1.18 Allowed Glycine 0 C--N 1.355 1.602 0 O-C-N 124.213 0.946 . . . . 0.0 110.912 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.01 157.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.178 -2.011 . . . . 0.0 107.318 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 113.85 -1.523 . . . . 0.0 109.13 174.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.596 0.713 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.3 126.93 31.43 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.624 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.93 165.29 20.51 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.57 -2.104 . . . . 0.0 107.509 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -113.01 119.02 36.46 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.817 -1.992 . . . . 0.0 107.128 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.8 m -90.57 126.57 35.98 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.307 -2.679 . . . . 0.0 106.75 -179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.96 148.94 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 0 C-N-CA 127.312 2.245 . . . . 0.0 105.449 171.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.14 138.02 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 1 CA-C-N 107.893 -4.23 . . . . 0.0 103.971 -170.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.49 129.84 39.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 117.423 -1.711 . . . . 0.0 108.187 167.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.21 145.02 15.98 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.394 166.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.67 124.61 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 111.632 -2.284 . . . . 0.0 105.205 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.52 122.57 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 112.92 -1.946 . . . . 0.0 107.639 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.39 -75.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.065 0 CA-C-N 110.347 -3.115 . . . . 0.0 110.859 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.6 p -175.81 118.94 0.16 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 111.443 -2.378 . . . . 0.0 107.841 -162.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.25 85.47 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 O-C-N 125.395 1.685 . . . . 0.0 112.244 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.3 m -172.96 -65.07 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.343 -2.208 . . . . 0.0 108.523 -170.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -100.02 129.93 46.13 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.882 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.31 95.26 2.69 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.671 -2.059 . . . . 0.0 106.235 170.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.52 146.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.574 -168.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.23 -59.23 2.7 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 112.713 -2.04 . . . . 0.0 110.017 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -72.53 -28.4 62.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 111.541 -2.329 . . . . 0.0 111.005 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -80.79 86.09 6.03 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 123.296 1.522 . . . . 0.0 110.206 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.255 0.0 OUTLIER 177.95 -45.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 109.887 -3.324 . . . . 0.0 106.646 -174.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.2 mt -66.68 -33.29 75.31 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 111.267 -2.697 . . . . 0.0 109.911 168.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.41 -52.7 62.71 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.945 -1.934 . . . . 0.0 111.042 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -65.21 -35.18 80.25 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 112.116 -2.311 . . . . 0.0 111.271 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 -29.63 61.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.569 -1.65 . . . . 0.0 112.6 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -66.08 -41.71 90.34 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.265 0.978 . . . . 0.0 109.086 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.12 79.48 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 112.88 -1.964 . . . . 0.0 111.219 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -67.33 -20.71 65.63 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.07 -1.877 . . . . 0.0 112.933 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.46 7.68 18.97 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.991 0.807 . . . . 0.0 110.997 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.47 22.49 77.78 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.674 -170.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -86.16 151.89 23.29 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -177.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -78.26 104.4 8.82 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 t -127.57 117.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.699 -174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.9 110.96 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 111.302 -2.681 . . . . 0.0 106.752 158.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -85.88 97.67 10.35 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.65 19.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.142 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.46 -164.97 54.36 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.509 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.95 117.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 CA-C-N 113.144 -1.528 . . . . 0.0 109.0 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.07 83.74 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.898 -1.956 . . . . 0.0 107.991 -175.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 87.68 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.69 -1.596 . . . . 0.0 110.456 173.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.686 ' HG ' ' H ' ' A' ' 43' ' ' GLN . 40.1 t -117.35 -147.67 0.41 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.072 -1.877 . . . . 0.0 107.678 176.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.686 ' H ' ' HG ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -47.95 -50.89 25.71 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 124.315 1.01 . . . . 0.0 112.99 -176.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -52.28 -35.87 51.31 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.75 1.281 . . . . 0.0 113.348 -167.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -83.96 -31.55 25.5 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.918 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -38.11 56.28 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.079 1.419 . . . . 0.0 113.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -49.64 -38.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 110.304 -3.135 . . . . 0.0 111.319 159.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -68.86 -28.83 67.06 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.479 1.112 . . . . 0.0 111.425 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.54 63.66 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 124.277 0.986 . . . . 0.0 110.362 167.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.23 68.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 115.865 -2.334 . . . . 0.0 113.911 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.19 -39.77 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.758 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.06 -50.32 13.35 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.11 -1.404 . . . . 0.0 112.973 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.3 p -97.43 -29.21 13.63 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 125.338 1.649 . . . . 0.0 113.342 -172.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 91.86 58.84 0.0 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 126.24 2.213 . . . . 0.0 109.326 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.39 122.97 22.93 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 109.97 -3.286 . . . . 0.0 110.68 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.48 -22.95 56.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.768 1.918 . . . . 0.0 110.5 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -140.49 144.61 36.1 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 123.015 1.388 . . . . 0.0 111.783 176.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.513 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 62.8 mt -121.29 124.59 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 110.329 -3.123 . . . . 0.0 106.44 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.11 114.66 25.62 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.107 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.8 121.66 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.989 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.51 143.16 31.01 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.797 -2.456 . . . . 0.0 107.354 173.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -131.51 121.05 23.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.11 1.506 . . . . 0.0 109.124 -174.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.88 -66.56 0.69 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-N 111.945 -2.389 . . . . 0.0 110.634 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.02 -39.13 51.31 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.681 1.238 . . . . 0.0 107.705 168.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.11 48.44 0.09 OUTLIER Glycine 0 C--N 1.353 1.491 0 CA-C-N 111.182 -2.736 . . . . 0.0 110.182 -170.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -83.67 26.98 0.65 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.362 -0.919 . . . . 0.0 112.333 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.09 -27.4 52.93 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 113.801 -1.545 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -61.91 -27.79 69.06 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.075 -1.062 . . . . 0.0 110.927 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -89.11 -44.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.932 -1.94 . . . . 0.0 111.546 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.91 -56.14 4.74 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 122.917 1.341 . . . . 0.0 112.698 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.3 m -63.79 -25.95 68.41 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 110.658 -2.974 . . . . 0.0 112.255 -162.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -71.06 111.59 6.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.524 -1.671 . . . . 0.0 107.9 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 18.5 80.15 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 112.521 -2.127 . . . . 0.0 114.829 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.7 -25.84 57.02 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 117.562 0.681 . . . . 0.0 111.881 153.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -62.74 -45.12 94.21 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 118.62 -1.232 . . . . 0.0 110.924 165.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.43 2.1 pt-20 -77.28 -25.98 51.93 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 117.576 2.435 . . . . 0.0 117.576 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 64.9 mmtt -76.5 -29.73 56.92 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 125.684 1.865 . . . . 0.0 113.403 166.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.2 p -77.25 -32.64 55.84 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.337 1.541 . . . . 0.0 111.579 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -78.05 -33.14 51.14 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 110.522 -3.035 . . . . 0.0 111.234 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.342 22.0 mm-40 -73.38 -29.63 62.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.114 -2.312 . . . . 0.0 112.855 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.71 3.13 6.85 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.423 -1.717 . . . . 0.0 112.612 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.01 34.44 47.33 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.3 mt -137.88 61.26 1.6 Allowed 'General case' 0 C--N 1.348 0.505 0 CA-C-N 111.813 -2.193 . . . . 0.0 108.173 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 123.01 33.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 112.757 -2.02 . . . . 0.0 108.754 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -25.0 2.52 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.95 124.72 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 111.78 -2.21 . . . . 0.0 111.123 173.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -93.7 150.06 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 108.551 -3.931 . . . . 0.0 107.842 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.513 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 73.4 mt -130.86 127.68 39.07 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 113.253 -1.794 . . . . 0.0 109.768 -168.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -107.82 143.12 36.83 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.817 -2.447 . . . . 0.0 106.911 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.1 p -136.29 123.66 33.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 O-C-N 124.053 0.846 . . . . 0.0 110.223 178.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.11 137.93 13.83 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.631 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 138.81 -153.31 22.6 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 113.07 -1.565 . . . . 0.0 110.562 171.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -81.5 -33.63 31.76 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.143 -1.529 . . . . 0.0 110.317 170.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . 0.266 5.2 pt 53.35 16.23 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 130.766 3.626 . . . . 0.0 113.344 170.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t -152.85 166.16 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.476 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.9 p -96.6 31.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 112.461 -2.154 . . . . 0.0 111.871 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.37 -59.88 4.07 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.689 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -61.8 113.78 2.96 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.711 -1.745 . . . . 0.0 110.337 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 92.71 126.57 0.02 OUTLIER 'General case' 0 C--N 1.354 0.801 0 O-C-N 126.164 2.165 . . . . 0.0 108.277 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -139.81 138.28 35.68 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.757 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.635 1.3 m-90 27.63 -79.92 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.869 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 -35.15 71.23 Favored 'Trans proline' 0 CA--C 1.55 1.311 0 CA-C-N 120.975 1.384 . . . . 0.0 114.919 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.31 -39.32 28.97 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.278 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.59 -40.4 71.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.266 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.07 -29.83 62.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.838 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -64.52 -36.78 85.32 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.358 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.4 -53.05 9.34 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.188 0.93 . . . . 0.0 111.032 -173.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.46 -53.32 36.75 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.153 -1.84 . . . . 0.0 110.725 -172.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.94 -28.77 67.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.267 -2.242 . . . . 0.0 112.633 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.22 91.27 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.07 0.856 . . . . 0.0 112.479 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -71.67 -18.42 62.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.437 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 137.02 -10.81 3.9 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.905 1.378 . . . . 0.0 113.865 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.05 136.8 18.36 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 121.614 0.721 . . . . 0.0 111.445 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.44 -63.13 1.41 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.152 -168.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -145.24 156.1 43.64 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.215 1.572 . . . . 0.0 110.841 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -117.6 113.95 44.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 111.427 -2.624 . . . . 0.0 108.847 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.28 137.96 24.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.77 177.68 0.13 Allowed 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.825 2.35 . . . . 0.0 115.655 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -80.84 115.27 3.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 N-CA-C 109.114 -1.148 . . . . 0.0 109.114 167.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.44 60.21 3.57 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.104 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 137.59 37.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.542 -1.829 . . . . 0.0 108.787 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.558 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -54.55 152.54 12.13 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.882 162.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.6 -20.27 8.14 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 120.662 0.908 . . . . 0.0 113.545 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -29.97 70.73 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.843 -1.526 . . . . 0.0 110.461 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.558 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.4 m -65.86 -40.15 91.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.885 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -79.3 -38.63 34.87 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 125.594 1.808 . . . . 0.0 109.719 -164.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.12 -44.06 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 110.607 -2.997 . . . . 0.0 109.794 -173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.96 63.49 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.051 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' THR 0.269 11.3 t70 -71.42 -28.78 64.23 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.778 168.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.489 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -65.17 -43.26 92.28 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 121.416 0.626 . . . . 0.0 110.991 177.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.39 -55.08 17.52 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.243 -1.799 . . . . 0.0 109.114 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -53.4 -34.2 56.82 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.903 -1.953 . . . . 0.0 114.669 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.4 -47.02 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.483 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 94.0 mt -90.47 17.06 7.8 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.291 0.994 . . . . 0.0 112.318 -172.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.73 57.72 4.82 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.761 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -147.75 159.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 112.395 -1.903 . . . . 0.0 106.853 -174.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 CA--C 1.545 0.762 0 O-C-N 125.34 1.65 . . . . 0.0 110.982 -179.362 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.398 0.618 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 61.66 83.49 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.125 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' HZ1' ' HZ1' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -136.03 165.4 25.77 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 112.719 -2.037 . . . . 0.0 108.749 -173.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HZ2' HG22 ' A' ' 136' ' ' VAL . 86.6 mttt -107.41 109.88 21.71 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.266 -2.243 . . . . 0.0 107.137 167.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.559 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 30.6 m -89.76 131.02 35.93 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.057 173.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 122.95 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 CA-C-N 110.216 -3.175 . . . . 0.0 103.817 163.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.292 0.9 OUTLIER -100.05 141.03 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.867 0 CA-C-N 109.587 -3.46 . . . . 0.0 103.275 176.183 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -132.22 128.97 39.07 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 116.433 -2.107 . . . . 0.0 106.744 163.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.92 145.63 16.02 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 112.223 -2.262 . . . . 0.0 109.157 166.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.3 t -97.72 120.98 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.61 144.04 11.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 CA-C-N 112.688 -2.051 . . . . 0.0 108.779 -164.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.44 -146.64 18.22 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 110.19 -3.186 . . . . 0.0 105.844 -150.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -162.15 -148.07 0.14 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 113.887 -1.156 . . . . 0.0 108.421 -173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 73.83 -170.53 0.12 Allowed 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.599 1.187 . . . . 0.0 109.067 -171.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.81 28.34 1.37 Allowed 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.404 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -92.43 81.65 4.88 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.443 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.51 69.82 6.84 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.889 -1.96 . . . . 0.0 108.902 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.93 -30.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 112.539 -2.119 . . . . 0.0 111.949 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.78 3.47 62.81 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-N 113.626 -1.624 . . . . 0.0 111.495 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -133.04 51.76 2.13 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.296 -1.452 . . . . 0.0 108.438 -167.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -143.9 -31.42 0.46 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.578 -2.101 . . . . 0.0 111.813 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.0 -52.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.188 0.994 . . . . 0.0 109.228 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.26 -52.05 65.89 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 111.778 -2.464 . . . . 0.0 111.577 -167.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -53.59 -47.98 69.66 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.89 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -58.44 -45.27 88.84 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.27 1.606 . . . . 0.0 111.906 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -76.59 -26.76 55.37 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.953 -1.931 . . . . 0.0 111.945 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.85 -41.77 95.44 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.157 0.911 . . . . 0.0 110.588 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -37.67 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.215 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.3 -20.62 66.15 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 111.891 -2.413 . . . . 0.0 112.562 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.42 12.59 22.21 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.105 0.878 . . . . 0.0 110.17 -165.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.85 20.94 79.75 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.357 -1.747 . . . . 0.0 111.948 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.75 157.78 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 117.393 -1.723 . . . . 0.0 107.916 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -77.77 111.85 14.0 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 103.227 -2.879 . . . . 0.0 103.227 164.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.0 110.13 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 125.271 1.607 . . . . 0.0 108.926 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.81 110.6 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 110.761 -2.927 . . . . 0.0 105.103 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -96.67 97.87 9.71 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.402 -1.727 . . . . 0.0 107.033 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -36.94 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.179 -2.282 . . . . 0.0 109.22 -171.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -163.59 54.87 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 114.139 -1.392 . . . . 0.0 112.969 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.9 167.45 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 111.748 -2.226 . . . . 0.0 109.032 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 91.38 39.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.567 1.947 . . . . 0.0 110.164 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p 175.92 157.18 0.23 Allowed 'General case' 0 C--N 1.348 0.508 0 CA-C-N 112.675 -2.057 . . . . 0.0 108.395 -165.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -124.85 -172.38 2.56 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.307 -1.769 . . . . 0.0 109.967 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -58.29 -30.04 66.32 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -68.1 -29.03 67.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 124.57 1.168 . . . . 0.0 111.893 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.37 -33.58 58.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.342 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -76.46 -34.43 58.69 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 123.282 1.515 . . . . 0.0 112.905 -176.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.78 -42.0 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 109.739 -3.391 . . . . 0.0 111.217 160.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -71.15 -28.83 64.55 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.703 1.252 . . . . 0.0 111.748 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.419 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -71.51 -28.66 64.05 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 116.801 -1.571 . . . . 0.0 111.705 166.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.45 62.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 118.798 -1.161 . . . . 0.0 113.327 169.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.07 -36.67 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -73.12 -50.77 20.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.554 -1.657 . . . . 0.0 111.76 -171.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.559 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -90.66 -36.77 14.18 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 110.632 -2.985 . . . . 0.0 112.383 -167.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' HZ1' ' HZ1' ' A' ' 3' ' ' LYS . 7.1 mtmp? 83.09 79.66 0.03 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 111.536 -2.574 . . . . 0.0 109.671 -166.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -68.75 139.71 55.33 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.285 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -31.69 16.76 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.667 155.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pt? -140.5 145.04 36.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.156 1.455 . . . . 0.0 112.678 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.515 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 51.9 mt -124.92 127.36 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 110.492 -3.049 . . . . 0.0 106.401 177.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.26 141.09 46.39 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 113.336 -1.757 . . . . 0.0 109.687 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.56 121.49 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 111.626 -2.534 . . . . 0.0 105.689 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -115.18 114.83 25.78 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 124.979 1.425 . . . . 0.0 108.987 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.88 144.87 29.31 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.696 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.97 -72.15 0.45 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.7 -2.5 . . . . 0.0 110.914 -163.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -41.04 61.73 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.06 27.61 0.06 OUTLIER Glycine 0 C--N 1.352 1.464 0 CA-C-N 112.199 -2.273 . . . . 0.0 111.31 -160.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -88.68 28.72 1.09 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.319 -0.941 . . . . 0.0 111.308 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.35 -35.45 26.43 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.31 166.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -49.78 74.13 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.979 -2.11 . . . . 0.0 109.367 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.22 -45.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 111.902 -2.408 . . . . 0.0 112.022 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.36 -56.73 4.22 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -27.64 46.35 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 113.334 -1.757 . . . . 0.0 114.034 -154.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -71.55 123.31 22.17 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.606 1.191 . . . . 0.0 110.74 -167.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.08 27.79 24.94 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-N 113.376 -1.738 . . . . 0.0 111.971 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.33 -25.41 57.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 125.64 1.435 . . . . 0.0 110.411 154.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.84 -46.97 86.45 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 117.604 -1.638 . . . . 0.0 109.567 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.365 18.4 mp0 -77.41 -26.25 51.52 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -76.15 -29.34 57.73 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.747 1.904 . . . . 0.0 113.265 168.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.24 -35.03 55.74 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 123.364 1.554 . . . . 0.0 110.655 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.81 -42.81 97.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 110.235 -3.166 . . . . 0.0 109.613 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 0.1 OUTLIER -73.12 -29.93 63.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 110.188 -3.187 . . . . 0.0 111.841 -177.433 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 1.49 10.42 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 112.165 -2.288 . . . . 0.0 112.562 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.93 37.83 37.54 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 67.0 mt -143.84 48.4 1.41 Allowed 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.642 -2.279 . . . . 0.0 108.646 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.19 114.83 24.15 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.457 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 152.57 -28.11 0.85 Allowed Glycine 0 C--N 1.344 1.027 0 CA-C-N 111.94 -2.391 . . . . 0.0 108.291 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.83 124.89 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 111.583 -2.308 . . . . 0.0 109.837 167.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -87.87 144.4 26.6 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 110.853 -2.885 . . . . 0.0 108.604 159.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.515 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 29.8 mt -118.26 135.17 54.43 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.323 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -107.86 151.2 26.08 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 111.302 -2.681 . . . . 0.0 107.518 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.25 123.89 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 113.067 -1.878 . . . . 0.0 108.316 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.11 18.21 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 114.164 -1.38 . . . . 0.0 113.187 -166.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.49 -141.16 20.28 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 112.339 -1.931 . . . . 0.0 111.529 170.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -81.83 88.29 6.33 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 112.631 -1.784 . . . . 0.0 107.902 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -27.56 10.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.769 1.293 . . . . 0.0 110.641 -176.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 p -129.11 -157.24 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 159.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.89 131.68 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 112.27 -2.241 . . . . 0.0 108.689 175.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.37 35.38 2.62 Favored Glycine 0 CA--C 1.54 1.615 0 CA-C-N 113.396 -1.729 . . . . 0.0 113.253 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -152.33 74.1 1.06 Allowed 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -145.31 -45.39 0.22 Allowed 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.495 -2.139 . . . . 0.0 110.044 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 55.76 77.08 0.25 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 112.774 -2.012 . . . . 0.0 110.319 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 10.0 p90 -79.45 131.56 64.83 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 111.801 -2.454 . . . . 0.0 114.954 -160.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.35 -21.56 5.3 Favored 'Trans proline' 0 CA--C 1.557 1.645 0 C-N-CA 121.487 1.458 . . . . 0.0 112.769 125.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.14 -52.37 7.85 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.023 -163.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.0 t -69.41 -37.72 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.131 -1.849 . . . . 0.0 110.764 -169.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.35 -47.73 82.94 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.844 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -57.09 -35.01 68.89 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.527 1.142 . . . . 0.0 112.111 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -76.45 -52.16 10.38 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.166 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.66 -44.01 83.03 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.513 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -73.94 -28.98 61.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.442 -2.617 . . . . 0.0 111.937 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.05 74.79 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.492 1.12 . . . . 0.0 111.352 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mmt -74.7 -32.93 62.32 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.9 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.61 -50.64 0.11 Allowed Glycine 0 C--N 1.355 1.616 0 C-N-CA 117.374 -2.346 . . . . 0.0 113.384 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -48.84 146.35 3.29 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.394 -1.403 . . . . 0.0 113.774 -165.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.89 -62.94 1.42 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 111.619 -2.537 . . . . 0.0 109.805 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -145.26 156.18 43.68 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.337 -172.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.03 125.82 72.74 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.845 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -96.04 116.96 66.53 Favored Pre-proline 0 C--N 1.357 0.913 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.599 166.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.76 172.51 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 121.137 1.225 . . . . 0.0 114.513 167.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.86 118.49 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 120.861 1.041 . . . . 0.0 110.691 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.25 7.16 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.389 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 m -86.98 137.19 32.56 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.353 1.073 . . . . 0.0 109.288 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.591 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.6 p -58.17 167.2 1.7 Allowed Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.221 169.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.17 -15.81 7.62 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 120.994 1.129 . . . . 0.0 114.195 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -72.71 -29.67 63.56 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.035 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.591 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -66.76 -33.36 75.46 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.169 -1.832 . . . . 0.0 112.27 173.653 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.34 -33.11 43.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 126.507 2.379 . . . . 0.0 108.542 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.0 mt -75.17 -39.35 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 111.807 -2.451 . . . . 0.0 110.518 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.04 63.94 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.458 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -63.26 -55.39 25.27 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 116.568 -2.053 . . . . 0.0 112.47 172.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptp -67.49 -34.83 77.95 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.015 0.822 . . . . 0.0 111.786 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.97 -55.79 12.97 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.024 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.56 -37.1 84.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.4 p -78.65 -36.05 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.574 1.171 . . . . 0.0 112.453 -171.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.0 mt -85.4 -15.88 41.65 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.424 1.077 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.0 83.59 0.88 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.437 HG22 ' HZ2' ' A' ' 4' ' ' LYS . 21.7 t -136.31 3.56 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 112.256 -1.972 . . . . 0.0 112.633 -174.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 112.171 -2.286 . . . . 0.0 109.409 -177.223 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.5 mtp . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.707 0.765 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.02 140.75 32.73 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.485 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 165.27 11.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 112.849 -1.978 . . . . 0.0 107.738 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -116.88 109.92 17.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 108.431 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -89.97 134.25 34.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 111.145 -2.752 . . . . 0.0 107.755 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.49 139.5 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 C-N-CA 127.464 2.306 . . . . 0.0 105.05 173.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.262 1.0 OUTLIER -117.45 134.97 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-N 108.949 -3.75 . . . . 0.0 104.945 -177.169 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.6 128.56 37.42 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 116.604 -2.038 . . . . 0.0 107.243 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.52 146.13 16.09 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 112.743 -2.026 . . . . 0.0 110.926 172.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.11 120.37 46.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 116.069 -2.253 . . . . 0.0 106.192 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -104.64 136.42 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 110.225 -3.17 . . . . 0.0 108.712 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.2 -75.08 1.76 Allowed Glycine 0 C--N 1.351 1.399 0 CA-C-N 111.664 -2.516 . . . . 0.0 109.512 -169.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -169.7 168.83 8.86 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 113.117 -1.542 . . . . 0.0 109.66 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.25 112.87 7.73 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 111.945 -2.388 . . . . 0.0 109.513 163.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -132.88 62.08 1.66 Allowed 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.449 -2.159 . . . . 0.0 106.179 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 71.1 137.34 0.04 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-N 111.063 -2.79 . . . . 0.0 109.824 -166.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.09 83.35 5.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 113.49 -1.687 . . . . 0.0 109.091 173.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.88 -66.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.672 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.15 -97.73 0.22 Allowed Glycine 0 CA--C 1.532 1.112 0 CA-C-N 111.349 -2.66 . . . . 0.0 107.898 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 t30 34.51 -96.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 112.48 -1.86 . . . . 0.0 114.763 165.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -72.63 -41.61 65.34 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.185 1.553 . . . . 0.0 111.663 -169.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.02 -38.4 82.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 CA-C-N 112.846 -1.979 . . . . 0.0 109.862 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.96 -42.52 60.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 110.452 -3.067 . . . . 0.0 111.864 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -57.68 -56.29 23.86 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.888 -1.506 . . . . 0.0 112.402 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -53.4 -46.72 69.82 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 125.656 1.847 . . . . 0.0 112.192 -165.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.308 -2.224 . . . . 0.0 112.039 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -70.91 -33.41 70.51 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -36.98 78.81 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.196 -1.82 . . . . 0.0 109.395 176.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.44 -20.59 64.65 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.017 -1.902 . . . . 0.0 112.825 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.23 2.67 56.19 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 123.877 0.736 . . . . 0.0 110.019 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.77 19.93 79.75 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.635 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.56 142.99 27.43 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.337 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.98 104.46 8.56 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.09 132.93 69.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.929 -165.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.65 115.57 25.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 111.683 -2.508 . . . . 0.0 107.799 -162.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.98 97.93 10.53 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.324 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.04 -25.77 18.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.383 -2.189 . . . . 0.0 111.807 -169.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.42 139.46 2.98 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 113.987 -1.46 . . . . 0.0 109.969 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.77 127.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 168.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.05 101.98 0.05 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.227 -160.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -164.21 177.03 8.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.915 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 m -158.94 172.28 18.5 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.11 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -48.08 -28.79 3.07 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 112.79 -2.004 . . . . 0.0 115.84 -161.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.12 -36.55 82.16 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.943 0.777 . . . . 0.0 111.843 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.95 -41.38 78.11 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 113.677 -1.601 . . . . 0.0 112.078 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -76.23 -33.48 59.22 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-O 122.388 1.089 . . . . 0.0 113.439 -176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.86 -49.43 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 110.904 -2.862 . . . . 0.0 110.234 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.337 1.648 . . . . 0.0 111.919 -166.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.89 61.42 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 124.991 1.432 . . . . 0.0 110.287 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.36 64.33 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 116.791 -1.964 . . . . 0.0 112.963 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.05 -41.66 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.918 171.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -50.51 13.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.965 -167.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -97.95 -25.7 14.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 125.664 1.853 . . . . 0.0 113.4 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 97.89 62.3 0.0 OUTLIER 'General case' 0 C--N 1.343 0.321 0 O-C-N 126.334 2.271 . . . . 0.0 110.547 164.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.97 125.92 20.58 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 111.866 -2.424 . . . . 0.0 111.951 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.17 -28.96 18.57 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 112.139 -2.301 . . . . 0.0 108.181 157.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pt? -140.53 145.07 36.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.322 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 42.8 mt -126.19 123.15 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.275 -2.693 . . . . 0.0 106.793 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.64 140.06 47.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.777 -2.011 . . . . 0.0 108.526 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 121.97 63.11 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 111.659 -2.519 . . . . 0.0 107.344 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.5 112.59 24.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.405 -2.18 . . . . 0.0 105.77 174.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -135.25 109.85 8.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.261 -2.245 . . . . 0.0 106.997 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp -154.78 52.4 0.64 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-N 113.061 -1.881 . . . . 0.0 111.466 -142.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -152.46 7.1 0.43 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.979 -2.373 . . . . 0.0 111.694 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.78 13.65 62.37 Favored Glycine 0 C--N 1.355 1.592 0 O-C-N 123.859 0.724 . . . . 0.0 113.59 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -135.35 37.61 2.94 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.54 -21.37 78.74 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 111.86 -2.427 . . . . 0.0 112.606 -168.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.16 -34.8 37.31 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 112.509 -1.846 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.93 -44.2 92.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.748 -2.024 . . . . 0.0 110.887 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.33 -41.97 38.45 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.597 1.186 . . . . 0.0 113.376 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.74 -44.12 51.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.971 -165.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.54 133.69 55.47 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.97 1.419 . . . . 0.0 111.801 -172.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.21 12.09 71.27 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 112.505 -2.134 . . . . 0.0 112.765 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.4 -25.64 57.75 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.428 0.722 . . . . 0.0 110.266 154.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -54.07 -57.27 11.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.579 1.175 . . . . 0.0 109.814 168.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.471 7.3 tp10 -77.48 -25.9 50.83 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 93.0 mttt -76.28 -29.41 57.4 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.033 1.458 . . . . 0.0 113.605 168.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.61 -42.66 51.19 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 123.999 1.857 . . . . 0.0 109.788 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.264 14.1 m-20 -73.59 -26.9 61.02 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 109.245 -3.616 . . . . 0.0 111.658 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.318 25.7 mm-40 -73.67 -33.62 64.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 113.201 -1.818 . . . . 0.0 113.561 167.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.86 6.38 3.34 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.326 -1.761 . . . . 0.0 113.144 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.08 33.32 36.69 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.71 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 42.1 mt -135.86 62.62 1.62 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-N 112.227 -1.987 . . . . 0.0 107.202 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 115.94 28.19 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.675 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.27 -24.4 1.72 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.487 -171.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.92 124.73 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 111.632 -2.284 . . . . 0.0 109.004 166.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 136.42 33.14 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 110.601 -3.0 . . . . 0.0 107.805 161.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.535 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -110.35 134.61 52.13 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.966 1.365 . . . . 0.0 111.12 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.89 142.91 37.25 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 110.412 -3.086 . . . . 0.0 108.735 166.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.33 123.73 33.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 112.509 -2.132 . . . . 0.0 108.052 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.95 151.99 23.85 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.397 -172.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.61 -147.35 18.27 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.135 -2.032 . . . . 0.0 109.205 176.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -77.92 87.93 4.11 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 123.053 1.406 . . . . 0.0 107.942 166.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.51 -34.22 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 110.462 -3.063 . . . . 0.0 111.938 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.2 t -134.4 169.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.0 p -88.05 49.74 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.084 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.75 -48.92 1.82 Allowed Glycine 0 C--N 1.353 1.523 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.606 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.94 167.83 12.96 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.214 -1.493 . . . . 0.0 110.845 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 72.44 134.18 0.04 OUTLIER 'General case' 0 C--N 1.353 0.734 0 CA-C-N 112.361 -2.199 . . . . 0.0 111.124 172.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -137.49 127.2 25.37 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.063 -1.88 . . . . 0.0 108.151 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.58 3.0 m-90 35.56 -80.5 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.69 0 C-N-CA 129.452 3.101 . . . . 0.0 118.11 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.08 -35.23 25.44 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 N-CA-C 115.581 1.339 . . . . 0.0 115.581 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.25 -48.51 12.96 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.45 -1.705 . . . . 0.0 111.957 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.97 -59.14 4.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.453 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.57 -27.75 66.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.921 -2.399 . . . . 0.0 111.884 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.06 -40.77 64.23 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 118.467 -1.293 . . . . 0.0 112.023 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -75.31 -53.06 9.39 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.507 1.13 . . . . 0.0 111.886 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -64.61 -48.31 75.38 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.88 -173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -68.92 -28.55 66.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.406 -2.179 . . . . 0.0 112.076 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.15 70.83 Favored 'General case' 0 C--N 1.357 0.935 0 O-C-N 124.002 0.814 . . . . 0.0 112.023 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.5 mmt -67.9 -46.89 70.34 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.362 1.039 . . . . 0.0 109.709 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.63 -2.27 0.77 Allowed Glycine 0 C--N 1.353 1.517 0 CA-C-N 113.183 -1.826 . . . . 0.0 113.024 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -52.12 146.24 9.22 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-O 121.945 0.878 . . . . 0.0 111.34 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.86 -74.78 0.12 Allowed 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.428 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -145.02 156.33 43.87 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 124.21 0.944 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.85 138.76 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.623 -174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -104.94 147.34 34.32 Favored Pre-proline 0 C--N 1.36 1.06 0 O-C-N 124.873 1.358 . . . . 0.0 111.621 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -63.89 -179.93 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 121.978 1.786 . . . . 0.0 113.326 171.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.92 121.9 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.565 1.51 . . . . 0.0 110.501 166.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.5 63.57 1.84 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.398 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.44 40.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.406 -2.397 . . . . 0.0 108.886 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.536 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.2 p -49.97 157.2 1.13 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.697 163.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.77 -31.84 3.83 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 O-C-N 122.701 0.842 . . . . 0.0 110.591 172.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -30.71 51.88 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.183 1.552 . . . . 0.0 113.56 -170.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.536 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -69.01 -38.61 79.35 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.093 -178.181 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.4 m -79.55 -31.34 41.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 O-C-N 126.796 2.56 . . . . 0.0 110.112 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -40.78 42.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 113.016 -1.902 . . . . 0.0 110.682 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.95 64.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.907 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -61.73 -55.51 29.48 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 115.751 -2.379 . . . . 0.0 113.396 169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.3 ptp -73.06 -28.9 62.58 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -69.91 -53.07 19.61 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 125.124 1.515 . . . . 0.0 109.194 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.001 -1.454 . . . . 0.0 114.085 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.84 -47.06 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.738 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.9 mt -90.17 3.8 52.38 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.477 1.11 . . . . 0.0 112.649 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.2 72.19 0.88 Allowed Glycine 0 C--N 1.354 1.535 0 O-C-N 124.024 0.827 . . . . 0.0 111.432 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -148.38 158.62 7.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.009 -172.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.994 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 121.645 0.736 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -72.46 -53.22 12.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.647 -1.615 . . . . 0.0 109.827 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 165.36 25.86 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 112.83 -1.986 . . . . 0.0 108.378 176.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -117.05 120.78 39.4 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.03 171.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -93.61 131.51 38.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 110.695 -2.957 . . . . 0.0 107.415 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.02 122.8 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.3 2.1 t -100.01 123.94 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 1 CA-C-N 108.0 -4.182 . . . . 0.0 104.204 -175.882 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.18 128.91 39.01 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.652 -2.019 . . . . 0.0 108.129 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.11 146.02 16.13 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 111.143 -2.753 . . . . 0.0 108.858 170.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -97.18 120.44 46.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 116.74 -1.984 . . . . 0.0 106.775 168.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -107.63 144.17 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 110.377 -3.101 . . . . 0.0 109.139 -166.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . 129.21 136.9 4.19 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-N 110.843 -2.889 . . . . 0.0 106.742 -170.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.39 93.37 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 O-C-N 125.712 1.478 . . . . 0.0 110.889 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -174.54 172.36 3.12 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.607 -2.088 . . . . 0.0 109.294 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -127.66 30.94 5.24 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.749 -2.023 . . . . 0.0 109.812 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -87.59 113.88 23.68 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.239 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -2.59 24.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.428 -1.715 . . . . 0.0 112.987 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.89 141.31 18.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 O-C-N 124.244 0.965 . . . . 0.0 109.214 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.59 79.78 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.364 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -170.37 45.65 0.03 OUTLIER 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.497 -1.352 . . . . 0.0 107.836 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -140.72 -40.55 0.41 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.184 -2.28 . . . . 0.0 109.03 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.49 -27.17 2.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.689 172.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.74 -44.22 90.85 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.558 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.5 -35.66 81.67 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 111.817 -2.447 . . . . 0.0 112.117 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -53.8 -41.98 67.87 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 125.983 2.052 . . . . 0.0 112.864 -162.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -75.32 -30.66 60.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 125.584 1.803 . . . . 0.0 112.338 -171.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -66.78 -39.8 87.95 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.908 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -34.74 78.56 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.906 -1.952 . . . . 0.0 110.368 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.84 -20.71 63.41 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.917 -1.947 . . . . 0.0 112.563 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.07 12.19 14.15 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 124.066 0.854 . . . . 0.0 110.458 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.19 20.56 76.66 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.384 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.427 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -91.29 155.01 18.85 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -174.67 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.63 104.75 12.26 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 116.847 -1.941 . . . . 0.0 106.038 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.427 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 14.0 t -127.16 116.18 43.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.667 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.94 115.73 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 109.989 -3.278 . . . . 0.0 107.26 167.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -85.86 97.9 10.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.297 -2.229 . . . . 0.0 105.742 166.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.68 -18.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 112.685 -2.052 . . . . 0.0 110.855 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.95 -174.91 30.63 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.922 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.93 132.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.613 -1.793 . . . . 0.0 109.562 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.51 -139.23 0.07 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-N 111.283 -2.69 . . . . 0.0 110.174 163.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.477 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 59.8 p -166.6 15.97 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.565 1.166 . . . . 0.0 112.219 -168.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 t -159.67 152.53 21.66 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 125.06 2.362 . . . . 0.0 112.867 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.8 -28.85 66.36 Favored 'General case' 0 C--O 1.217 -0.625 1 CA-C-N 107.985 -4.188 . . . . 0.0 111.881 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.55 -37.95 58.8 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.374 1.046 . . . . 0.0 112.925 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -88.93 -34.59 16.86 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.406 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -38.21 56.63 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.325 1.059 . . . . 0.0 111.398 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.87 -32.76 53.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 CA-C-N 111.701 -2.5 . . . . 0.0 110.612 165.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -61.77 -36.73 81.91 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 118.571 -1.252 . . . . 0.0 110.881 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.58 62.64 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 112.095 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.21 66.23 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 115.598 -2.441 . . . . 0.0 113.398 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.58 -39.02 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.329 173.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -50.47 24.52 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.709 1.256 . . . . 0.0 112.826 -171.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 p -101.49 -28.98 12.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 125.569 1.793 . . . . 0.0 114.153 -171.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 89.48 72.67 0.01 OUTLIER 'General case' 0 C--N 1.342 0.264 0 O-C-N 125.988 2.055 . . . . 0.0 109.809 173.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.77 133.24 54.03 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 109.988 -3.278 . . . . 0.0 111.237 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.22 -31.65 16.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.097 162.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.23 144.86 36.74 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.114 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 53.7 mt -124.5 128.07 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 111.387 -2.642 . . . . 0.0 106.996 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 56.2 m -115.0 136.42 53.14 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 111.148 -2.751 . . . . 0.0 109.299 -172.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.25 121.8 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 110.669 -2.968 . . . . 0.0 106.298 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -109.09 115.06 29.32 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.618 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 94' ' ' ILE . 27.1 m -100.72 117.09 34.12 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.939 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 mt -80.11 -34.74 37.67 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 112.097 -2.319 . . . . 0.0 108.682 163.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.8 t80 90.63 59.73 0.0 OUTLIER 'General case' 0 C--N 1.351 0.647 0 CA-C-N 111.205 -2.725 . . . . 0.0 109.111 -172.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -25.58 59.23 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 111.121 -2.763 . . . . 0.0 109.229 150.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 167.62 81.06 0.0 OUTLIER 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.643 2.377 . . . . 0.0 105.84 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.13 -45.28 8.32 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 112.844 -1.98 . . . . 0.0 112.166 -170.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.07 -36.17 35.96 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.874 -1.163 . . . . 0.0 111.533 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.65 -44.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.362 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.26 -31.97 55.29 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.963 -1.471 . . . . 0.0 112.984 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.9 p -78.18 -26.69 47.73 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.997 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -75.78 125.74 29.66 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.539 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.63 20.39 56.39 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.876 -1.965 . . . . 0.0 112.666 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.7 -25.84 57.05 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 124.48 0.753 . . . . 0.0 112.032 163.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -54.49 46.36 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.36 169.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.409 31.6 tt0 -77.51 -26.25 51.0 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 118.717 2.858 . . . . 0.0 118.717 -176.331 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.313 39.5 mttp -76.22 -29.14 57.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.368 1.667 . . . . 0.0 112.659 165.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.9 -39.74 63.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 123.959 1.837 . . . . 0.0 109.925 173.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.65 -37.44 87.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 109.789 -3.368 . . . . 0.0 110.911 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.293 3.5 pt-20 -73.2 -32.06 64.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.205 -2.725 . . . . 0.0 112.421 178.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 3.79 6.27 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 111.908 -2.405 . . . . 0.0 112.819 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.21 45.72 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.653 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.8 mt -133.63 69.66 1.47 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 112.043 -2.078 . . . . 0.0 107.139 -176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -98.92 117.24 32.98 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.356 -2.202 . . . . 0.0 108.008 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.16 -24.88 2.22 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 108.159 -1.977 . . . . 0.0 108.159 -172.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.555 ' CG2' ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -65.01 124.72 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 111.635 -2.283 . . . . 0.0 109.188 166.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -110.82 138.51 47.13 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 110.566 -3.015 . . . . 0.0 108.027 168.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.555 ' CD2' ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -109.82 133.64 52.93 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-O 124.17 1.938 . . . . 0.0 111.277 -167.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -107.87 129.93 55.04 Favored 'General case' 0 N--CA 1.45 -0.461 1 CA-C-N 108.076 -4.147 . . . . 0.0 106.84 171.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 123.8 34.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.094 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.27 152.01 20.48 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.838 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 118.75 -152.08 17.5 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.952 -2.124 . . . . 0.0 110.605 170.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.15 83.7 6.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 112.718 -1.741 . . . . 0.0 108.057 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 4.6 pt -94.44 -3.14 10.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.954 -1.93 . . . . 0.0 113.65 -162.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.0 t -129.44 166.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 p -71.17 88.73 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 112.023 -2.353 . . . . 0.0 111.721 -171.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.58 -96.83 0.31 Allowed Glycine 0 C--N 1.352 1.472 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.088 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 132.69 54.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 112.582 -1.809 . . . . 0.0 110.325 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -168.09 126.97 1.22 Allowed 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.111 -2.313 . . . . 0.0 108.345 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -116.12 -27.25 6.96 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.214 -1.357 . . . . 0.0 114.132 -157.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.675 1.2 m-90 94.37 -63.04 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.29 -33.9 97.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 121.231 1.475 . . . . 0.0 114.136 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -80.21 -37.78 32.47 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.324 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.44 -43.31 56.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.01 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.01 -27.93 61.19 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.393 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -57.58 -48.15 80.16 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.371 1.044 . . . . 0.0 111.176 172.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -74.21 -53.14 10.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.661 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -61.04 -49.5 77.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.737 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.46 -28.94 65.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.297 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.1 -31.76 72.45 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.453 1.096 . . . . 0.0 111.73 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.0 mmt -78.03 -21.6 50.48 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 124.599 1.187 . . . . 0.0 111.348 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.3 -15.77 0.87 Allowed Glycine 0 C--N 1.356 1.681 0 C-N-CA 119.305 -1.426 . . . . 0.0 114.338 165.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -59.03 132.03 52.8 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.716 1.246 . . . . 0.0 111.799 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -71.61 -47.41 54.81 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 111.672 -2.513 . . . . 0.0 109.251 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -145.03 137.76 26.27 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.218 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.2 t -123.27 113.7 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 112.131 -2.304 . . . . 0.0 108.628 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -86.24 146.04 41.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.544 -1.207 . . . . 0.0 112.105 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.44 179.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 123.562 2.841 . . . . 0.0 116.872 -175.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.4 113.15 1.8 Allowed 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 121.7 1.6 . . . . 0.0 112.57 170.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.89 81.37 0.08 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.159 -1.837 . . . . 0.0 112.659 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.05 137.47 40.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.268 -1.466 . . . . 0.0 110.868 -175.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.599 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.8 OUTLIER -48.67 161.03 0.42 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 111.66 -2.518 . . . . 0.0 111.356 162.857 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.07 -19.55 5.64 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.26 1.307 . . . . 0.0 113.916 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.03 -29.78 62.09 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.132 -171.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.599 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.7 m -62.88 -38.49 91.09 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.278 174.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 m -79.61 -31.63 41.72 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.706 2.504 . . . . 0.0 109.818 -170.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.27 -43.59 43.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.153 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.39 -30.87 63.56 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 173.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.304 29.5 t70 -69.76 -28.67 65.96 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 126.146 2.154 . . . . 0.0 112.259 168.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.464 ' SD ' ' C ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -72.22 -36.95 69.29 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.063 173.882 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -65.58 -50.29 65.68 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.962 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' CG ' ' H ' ' A' ' 133' ' ' VAL . 8.2 pt-20 -59.5 -57.02 14.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.65 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.419 ' H ' ' CG ' ' A' ' 132' ' ' GLU . 20.9 t -56.7 -47.21 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.867 -172.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . 0.452 HD12 ' SD ' ' A' ' 130' ' ' MET . 63.6 mt -89.36 10.81 21.06 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.546 1.154 . . . . 0.0 111.685 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.45 68.54 1.61 Allowed Glycine 0 C--N 1.357 1.706 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.854 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -145.32 3.13 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.949 -1.625 . . . . 0.0 113.793 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.912 -170.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptm . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.743 0.782 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -159.9 -53.31 0.06 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.275 -1.784 . . . . 0.0 108.421 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.56 165.27 11.66 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.668 -2.06 . . . . 0.0 108.687 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 109.97 21.86 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 111.957 -2.383 . . . . 0.0 106.906 167.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.568 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 98.7 m -89.16 134.3 34.07 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.973 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.31 122.93 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.93 -3.305 . . . . 0.0 103.857 162.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.03 143.25 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 CA-C-N 109.862 -3.335 . . . . 0.0 105.136 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.35 128.71 38.25 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.283 -1.767 . . . . 0.0 107.597 164.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 145.72 16.07 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.538 -2.574 . . . . 0.0 109.203 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -97.59 120.37 46.84 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 117.522 -1.671 . . . . 0.0 107.28 170.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tt -99.05 141.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 112.166 -2.288 . . . . 0.0 108.696 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . 73.88 95.97 0.1 Allowed Glycine 0 CA--C 1.533 1.188 0 CA-C-N 111.208 -2.724 . . . . 0.0 108.314 -160.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -63.2 162.1 12.5 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 112.646 -1.777 . . . . 0.0 112.122 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -149.37 175.1 11.74 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 110.559 -3.018 . . . . 0.0 106.611 174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -82.11 -36.33 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.693 170.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -98.7 -155.02 0.48 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.728 -2.033 . . . . 0.0 108.38 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.7 81.7 0.19 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.56 1.162 . . . . 0.0 112.05 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.34 -14.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.952 -1.931 . . . . 0.0 111.44 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.49 -32.33 19.57 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.829 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 p30 48.46 103.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.059 1.744 . . . . 0.0 112.963 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD2' ' H ' ' A' ' 120' ' ' GLY . 33.3 ttpt 67.04 -104.41 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.095 171.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.59 8.44 2.07 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 124.271 0.982 . . . . 0.0 111.382 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.06 -52.64 13.55 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.798 -143.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.88 -48.75 77.63 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 114.099 -1.41 . . . . 0.0 112.191 -167.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -46.95 -53.48 12.22 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 125.977 2.048 . . . . 0.0 112.768 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -78.22 -26.75 47.52 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 111.864 -2.426 . . . . 0.0 111.736 -172.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -70.22 -36.89 74.85 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.032 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -35.87 79.35 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.421 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.35 -20.68 66.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.763 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.09 8.68 44.41 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 123.943 0.777 . . . . 0.0 110.145 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.03 79.67 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 113.818 -1.537 . . . . 0.0 112.148 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.39 139.72 30.74 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -77.99 104.87 8.82 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.92 108.74 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.756 -1.565 . . . . 0.0 107.992 -165.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.87 120.72 53.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-N 110.449 -3.069 . . . . 0.0 107.662 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.81 100.08 11.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 112.897 -1.956 . . . . 0.0 106.594 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.78 -29.39 33.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.86 -166.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.42 171.88 13.13 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.944 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.38 125.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 111.637 -2.282 . . . . 0.0 107.799 167.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 tp -163.65 145.4 9.35 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 113.868 -1.515 . . . . 0.0 108.919 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.402 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 97.5 p -66.9 0.66 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.737 -2.483 . . . . 0.0 114.476 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.52 ' HG ' ' H ' ' A' ' 44' ' ' GLU . 40.3 t -150.45 148.13 28.38 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.922 3.248 . . . . 0.0 115.463 -175.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -50.87 -28.8 10.32 Favored 'General case' 0 C--O 1.214 -0.794 1 CA-C-N 106.154 -5.021 . . . . 0.0 111.492 170.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.52 ' H ' ' HG ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -51.62 -37.59 50.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.98 -178.658 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -83.44 -29.12 28.32 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.728 1.267 . . . . 0.0 111.755 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.02 -41.19 51.75 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.42 -32.73 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.808 168.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -63.78 -28.57 69.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 117.125 -1.83 . . . . 0.0 111.882 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -70.18 -28.67 65.51 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.834 165.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.7 -30.46 62.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.26 -33.42 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -75.29 -50.82 14.87 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.643 -1.617 . . . . 0.0 112.071 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.568 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.7 OUTLIER -87.38 -37.67 16.86 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 110.91 -2.859 . . . . 0.0 111.82 -167.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 53' ' ' THR . 53.4 mttp 82.88 79.92 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 111.734 -2.485 . . . . 0.0 110.177 -168.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -77.37 141.6 39.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 112.081 -2.327 . . . . 0.0 111.996 -176.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.51 -31.3 16.81 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.012 -1.903 . . . . 0.0 110.095 154.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.6 pt? -140.44 145.1 36.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 122.883 1.325 . . . . 0.0 112.558 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.407 ' HB ' HD23 ' A' ' 88' ' ' LEU . 60.1 mt -124.48 130.61 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 111.087 -2.778 . . . . 0.0 107.012 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.53 141.11 48.15 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.245 -1.798 . . . . 0.0 110.356 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.67 126.58 65.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 CA-C-N 111.356 -2.656 . . . . 0.0 107.296 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 112.93 23.95 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.462 -1.699 . . . . 0.0 108.885 -175.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -101.38 121.41 41.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.749 -2.023 . . . . 0.0 108.963 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.74 52.25 0.06 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.324 -2.216 . . . . 0.0 108.041 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -138.91 -32.94 0.66 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.235 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.6 -53.01 0.06 OUTLIER Glycine 0 C--N 1.355 1.604 0 C-N-CA 119.626 -1.273 . . . . 0.0 111.642 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -179.71 105.04 0.03 OUTLIER 'General case' 0 C--N 1.354 0.772 0 CA-C-O 122.573 1.178 . . . . 0.0 109.732 -170.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.36 -27.81 56.88 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 112.546 -2.115 . . . . 0.0 114.496 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.18 -33.89 68.02 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 122.911 1.339 . . . . 0.0 110.017 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.43 -44.04 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 111.156 -2.747 . . . . 0.0 110.556 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.85 -56.05 5.04 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.978 -1.465 . . . . 0.0 112.533 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.5 p -78.22 -26.7 47.53 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 112.276 -2.238 . . . . 0.0 114.236 -159.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.42 127.99 34.96 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.026 0.917 . . . . 0.0 111.104 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.38 14.51 27.82 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.63 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -31.27 59.59 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.577 0.81 . . . . 0.0 111.876 159.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -40.79 98.7 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 115.877 -2.329 . . . . 0.0 109.822 173.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.36 20.0 tp10 -77.79 -26.77 49.92 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -76.45 -29.94 57.15 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 124.899 1.375 . . . . 0.0 112.822 165.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.5 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 14.0 t -77.58 -29.02 51.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 123.628 1.68 . . . . 0.0 112.297 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.02 -42.95 62.67 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 110.986 -2.824 . . . . 0.0 109.235 172.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 34.8 mt-10 -73.24 -29.57 62.86 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 109.58 -3.464 . . . . 0.0 113.289 -176.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.7 -2.95 25.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 113.085 -1.871 . . . . 0.0 112.663 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 21.78 75.66 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.467 -171.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.4 ' HB3' ' SG ' ' A' ' 78' ' ' CYS . 35.8 mt -108.53 23.33 14.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.724 -1.738 . . . . 0.0 109.875 -175.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.7 114.44 9.79 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 122.466 1.127 . . . . 0.0 110.407 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.6 -30.47 0.76 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 111.887 -2.415 . . . . 0.0 107.925 -172.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.5 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.6 mp -64.95 129.7 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 111.46 -2.37 . . . . 0.0 110.25 167.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -94.02 144.34 25.55 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 110.346 -3.115 . . . . 0.0 109.159 161.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 58' ' ' ILE . 19.9 mt -115.27 135.22 54.39 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 122.88 1.324 . . . . 0.0 112.249 -172.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -107.93 146.29 32.6 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 110.97 -2.832 . . . . 0.0 108.165 166.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.47 123.97 33.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.839 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.7 152.07 18.78 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 124.153 0.908 . . . . 0.0 112.425 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.48 17.01 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 112.267 -1.967 . . . . 0.0 111.031 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -89.49 84.73 6.41 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.054 -1.573 . . . . 0.0 108.637 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.1 pt -105.34 -26.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.941 -167.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p -93.0 -152.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -79.32 79.65 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 112.866 -1.97 . . . . 0.0 108.866 174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.95 -90.05 0.68 Allowed Glycine 0 C--N 1.353 1.496 0 CA-C-N 112.791 -2.004 . . . . 0.0 110.514 -172.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -166.52 90.8 0.42 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.917 -2.141 . . . . 0.0 107.929 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.58 -101.07 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 112.783 -2.008 . . . . 0.0 111.335 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -157.02 97.04 1.64 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.707 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.5 m-90 -18.32 -50.42 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 121.005 3.705 . . . . 0.0 121.005 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 CA-C-N 120.559 1.235 . . . . 0.0 114.589 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.17 -36.88 34.39 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.959 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.86 -41.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 124.021 0.826 . . . . 0.0 111.04 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.02 -28.16 61.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.122 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.34 -34.98 78.89 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 118.856 -1.138 . . . . 0.0 111.59 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.81 -53.11 12.39 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.637 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -75.09 -28.96 60.49 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.785 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -81.03 -31.97 34.31 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.837 1.335 . . . . 0.0 111.421 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.83 -28.01 69.26 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.729 1.268 . . . . 0.0 111.126 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.6 mmt -80.29 -44.42 19.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.374 -1.739 . . . . 0.0 110.391 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 153.88 -22.96 0.7 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 119.759 -1.21 . . . . 0.0 114.904 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -69.53 115.94 9.36 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 121.393 0.616 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -53.43 -47.26 69.81 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.371 -171.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.27 156.08 43.61 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.497 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.36 131.8 70.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 112.115 -2.311 . . . . 0.0 109.527 178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.84 137.57 19.83 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 124.948 1.405 . . . . 0.0 109.847 161.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -64.08 -178.11 0.56 Allowed 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 121.861 1.707 . . . . 0.0 113.314 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.57 123.3 2.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.656 1.57 . . . . 0.0 108.929 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.405 ' H ' ' HD2' ' A' ' 21' ' ' LYS . . . 92.74 47.86 3.08 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.825 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.5 m -102.04 137.4 40.37 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.1 -1.55 . . . . 0.0 108.782 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.584 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.3 p -56.3 162.59 3.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 O-C-N 125.353 1.658 . . . . 0.0 110.262 163.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.07 -14.62 8.43 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.148 1.232 . . . . 0.0 114.018 170.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.96 -29.73 65.81 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.746 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.584 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -67.04 -36.07 81.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 112.944 -1.935 . . . . 0.0 112.437 175.325 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.2 m -79.45 -33.31 42.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.218 2.199 . . . . 0.0 108.775 -171.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.96 -41.16 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 112.013 -2.358 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.95 63.87 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 125.301 1.626 . . . . 0.0 110.427 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -62.47 -55.16 30.25 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.337 -2.21 . . . . 0.0 112.013 171.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.1 ptp -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.49 -57.1 10.15 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.077 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -63.49 -33.74 76.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.295 -1.775 . . . . 0.0 113.997 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.2 t -71.15 -43.03 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.848 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.18 3.52 23.37 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.329 1.018 . . . . 0.0 111.791 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.61 53.9 4.16 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.036 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.0 160.71 23.19 Favored 'Isoleucine or valine' 0 C--N 1.349 0.568 0 CA-C-N 112.497 -1.852 . . . . 0.0 106.477 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.527 178.036 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 77.37 -75.02 0.06 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.487 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.95 165.35 11.26 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.246 -1.797 . . . . 0.0 106.998 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.98 109.79 20.56 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.563 -1.653 . . . . 0.0 107.092 167.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.648 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 78.9 m -95.31 133.14 39.55 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.215 166.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.45 129.8 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.947 0 CA-C-N 109.744 -3.389 . . . . 0.0 104.39 162.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.252 1.1 t -110.25 134.62 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 CA-C-N 110.498 -3.046 . . . . 0.0 104.979 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.52 128.56 37.58 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 115.4 -2.52 . . . . 0.0 109.474 171.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.31 145.86 16.02 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 111.684 -2.507 . . . . 0.0 111.001 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.62 120.3 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 117.309 -1.756 . . . . 0.0 106.955 165.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -96.85 144.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 112.238 -2.255 . . . . 0.0 108.649 -170.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.34 -103.5 2.18 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 111.643 -2.526 . . . . 0.0 108.422 -166.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m -160.99 17.09 0.11 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 125.504 1.355 . . . . 0.0 112.318 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 60.08 85.06 0.11 Allowed 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.503 1.127 . . . . 0.0 111.923 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.7 m -93.46 -61.1 1.62 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.455 165.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -98.57 -174.56 2.84 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 111.997 -2.365 . . . . 0.0 107.357 167.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.74 68.43 0.19 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.512 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 p -80.37 88.68 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 112.716 -2.038 . . . . 0.0 108.6 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 111.933 -2.394 . . . . 0.0 110.901 -172.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -157.15 58.53 0.52 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.683 0.872 . . . . 0.0 110.283 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -145.58 -46.52 0.21 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 113.538 -1.664 . . . . 0.0 109.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -35.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.985 -1.916 . . . . 0.0 108.749 174.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -65.33 -45.75 83.05 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 111.474 -2.603 . . . . 0.0 111.325 -169.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -56.14 -50.46 71.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.679 -1.6 . . . . 0.0 113.057 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -56.75 -40.43 75.79 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 125.421 1.7 . . . . 0.0 111.279 -174.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -64.5 -35.87 82.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 113.129 -1.851 . . . . 0.0 112.631 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -73.99 -37.53 64.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.499 -176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -34.85 78.78 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.139 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.59 -20.46 62.0 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.682 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.36 1.7 27.83 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.913 0.758 . . . . 0.0 111.014 -168.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.01 20.17 76.31 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.599 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -90.74 153.69 20.08 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 117.676 -1.609 . . . . 0.0 107.364 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 104.89 8.79 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.81 108.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.569 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.22 111.05 29.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 110.195 -3.184 . . . . 0.0 106.765 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.84 103.19 14.36 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.239 -1.801 . . . . 0.0 107.256 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 pp -71.91 -29.46 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 111.752 -2.477 . . . . 0.0 112.117 -165.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.18 145.54 4.15 Favored Glycine 0 C--N 1.354 1.532 0 O-C-N 124.954 1.409 . . . . 0.0 111.525 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -80.9 132.7 31.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 112.351 -1.925 . . . . 0.0 106.685 162.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 tt 73.72 124.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.759 0 O-C-N 125.562 1.788 . . . . 0.0 108.526 -159.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -159.79 176.44 11.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.718 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.01 161.75 39.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.094 166.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -51.67 -28.97 16.3 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.805 1.316 . . . . 0.0 113.493 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.32 -34.6 68.91 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.902 1.376 . . . . 0.0 112.559 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -82.56 -37.03 25.7 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.081 -1.872 . . . . 0.0 112.55 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -34.55 59.03 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 122.712 1.244 . . . . 0.0 113.181 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mt -50.6 -46.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 110.488 -3.051 . . . . 0.0 111.352 159.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -67.16 -34.16 76.97 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.694 1.246 . . . . 0.0 111.359 -170.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -74.1 -28.78 61.52 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 116.829 -1.558 . . . . 0.0 112.026 171.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.88 -30.44 62.63 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 119.001 -1.079 . . . . 0.0 113.365 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.23 -36.35 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.03 -50.83 29.78 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.625 -1.625 . . . . 0.0 111.498 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.648 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.65 -38.94 13.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 110.149 -3.205 . . . . 0.0 111.384 -166.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 6.8 mtmp? 82.62 83.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.774 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.172 -164.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.64 134.65 45.22 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 112.432 -2.167 . . . . 0.0 111.197 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.39 -32.78 16.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.956 158.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.311 2.5 pt? -140.36 145.13 36.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.185 1.469 . . . . 0.0 111.633 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.5 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 20.5 mt -126.53 120.75 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 110.6 -3.0 . . . . 0.0 107.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.8 t -115.14 138.47 50.87 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.053 -1.885 . . . . 0.0 109.096 -174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.51 135.94 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.459 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.27 112.64 25.6 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 112.602 -2.09 . . . . 0.0 106.757 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.1 p -115.97 136.95 52.56 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.133 -171.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.6 mt -123.69 -2.3 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.847 -1.524 . . . . 0.0 112.423 -156.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -156.77 -172.36 4.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -156.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.5 22.53 12.9 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 112.843 -1.98 . . . . 0.0 112.053 171.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -122.03 12.63 10.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.827 0.957 . . . . 0.0 109.826 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.37 -21.46 67.08 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 124.121 0.888 . . . . 0.0 111.218 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.55 -28.01 63.56 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 112.81 -1.695 . . . . 0.0 111.433 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -91.1 -44.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 113.808 -1.542 . . . . 0.0 110.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.35 -41.72 39.32 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.2 -168.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.22 -45.61 22.54 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.018 1.449 . . . . 0.0 111.712 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HZ2' HH12 ' A' ' 75' ' ' ARG . 9.2 tmtm? -69.22 134.14 48.83 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.138 -171.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.88 10.79 71.62 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 112.837 -1.983 . . . . 0.0 112.542 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 tp -75.26 -25.66 58.21 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 125.024 1.073 . . . . 0.0 109.253 154.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.642 HH12 ' HZ2' ' A' ' 72' ' ' LYS . 21.4 ttm105 -57.66 -53.99 51.96 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 113.93 -1.486 . . . . 0.0 109.815 170.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.372 11.5 mp0 -77.48 -26.28 51.16 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.398 20.9 ttmt -76.31 -29.18 57.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 125.2 1.563 . . . . 0.0 112.997 170.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.12 -38.2 52.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 123.473 1.606 . . . . 0.0 110.826 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.65 -43.65 98.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 110.247 -3.16 . . . . 0.0 109.001 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.337 2.3 pt-20 -73.27 -29.84 63.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.644 -2.98 . . . . 0.0 112.863 -177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.75 3.0 7.09 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.645 -2.071 . . . . 0.0 112.813 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.19 35.95 32.64 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.696 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.9 mt -135.23 71.96 1.44 Allowed 'General case' 0 C--N 1.347 0.489 0 CA-C-N 111.716 -2.242 . . . . 0.0 107.325 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -102.22 117.68 35.27 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.076 -1.874 . . . . 0.0 108.148 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.05 -20.57 2.12 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.498 -174.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.92 124.71 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-N 111.685 -2.258 . . . . 0.0 109.611 170.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.32 135.85 33.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 109.445 -3.525 . . . . 0.0 108.024 161.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 15.2 mt -109.96 134.9 51.61 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.979 1.371 . . . . 0.0 111.307 -175.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -107.62 136.21 47.76 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.234 -3.166 . . . . 0.0 106.328 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 p -135.25 123.79 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 112.189 -2.278 . . . . 0.0 105.72 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.61 152.08 22.77 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 118.397 -1.858 . . . . 0.0 113.157 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.71 -149.51 19.39 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 109.506 -3.347 . . . . 0.0 110.04 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -78.82 95.71 5.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.382 1.086 . . . . 0.0 109.86 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.0 pt -89.44 -43.99 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.339 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t -102.66 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.54 33.56 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 124.183 0.927 . . . . 0.0 113.078 -171.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.73 -52.06 3.91 Favored Glycine 0 CA--C 1.536 1.36 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.777 -173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.61 148.58 37.78 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.071 -1.565 . . . . 0.0 110.534 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 71.36 134.8 0.04 OUTLIER 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.118 -1.855 . . . . 0.0 109.999 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.74 131.73 39.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.231 -168.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.572 1.5 m-90 36.9 -71.04 0.0 OUTLIER Pre-proline 0 C--N 1.351 0.641 1 C-N-CA 132.057 4.143 . . . . 0.0 119.888 154.83 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.98 -39.9 40.46 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.857 1.342 . . . . 0.0 114.356 167.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.25 -45.04 18.64 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.449 -2.159 . . . . 0.0 112.543 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.0 -34.91 33.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 O-C-N 124.528 1.142 . . . . 0.0 111.716 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.03 -38.4 64.04 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.698 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -60.37 -33.33 72.3 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 118.556 -1.258 . . . . 0.0 111.575 174.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -75.24 -53.13 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.001 -176.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.04 -41.44 59.11 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.395 -168.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.28 -28.89 65.56 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.071 -1.877 . . . . 0.0 112.275 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.33 69.51 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.974 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.4 mmt -70.78 -39.03 73.43 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.395 1.059 . . . . 0.0 109.719 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.06 10.9 0.72 Allowed Glycine 0 C--N 1.355 1.607 0 CA-C-N 113.915 -1.493 . . . . 0.0 113.757 166.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.01 137.33 58.24 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.53 -52.88 59.26 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -144.87 141.26 28.94 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.734 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.26 113.7 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.296 -175.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -103.18 147.19 33.77 Favored Pre-proline 0 C--N 1.361 1.079 0 O-C-N 124.515 1.135 . . . . 0.0 113.407 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.33 169.73 9.66 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.806 2.338 . . . . 0.0 112.101 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.85 116.68 3.71 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 121.72 1.613 . . . . 0.0 111.772 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.71 74.17 1.27 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.898 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.06 137.29 40.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.778 -1.711 . . . . 0.0 107.96 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.2 OUTLIER -64.34 156.07 77.65 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.321 164.764 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 -19.27 5.8 Favored 'Trans proline' 0 C--N 1.356 0.928 0 O-C-N 123.384 1.202 . . . . 0.0 115.079 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.96 -29.79 65.89 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.314 1.009 . . . . 0.0 110.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.53 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -70.21 -33.08 71.25 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 112.674 -2.057 . . . . 0.0 112.28 176.079 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.6 m -79.13 -35.81 41.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 126.017 2.073 . . . . 0.0 108.787 -172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.12 -33.01 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 110.973 -2.83 . . . . 0.0 109.524 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.37 -40.6 64.25 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.226 173.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.384 6.7 p30 -74.39 -33.99 63.19 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 114.054 -3.058 . . . . 0.0 114.182 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.9 -33.54 76.08 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.904 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.06 -57.27 4.15 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.911 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -57.64 -34.27 69.16 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.843 -1.526 . . . . 0.0 114.647 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.53 -43.55 83.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.1 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.9 mt -98.05 19.91 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.587 1.179 . . . . 0.0 112.15 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.62 5.61 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.149 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.93 160.23 5.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-N 112.571 -1.815 . . . . 0.0 106.961 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.517 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 mtm . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.922 0.868 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 80.58 -4.69 1.79 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.309 -2.223 . . . . 0.0 112.331 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.94 165.38 11.24 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.139 0.899 . . . . 0.0 109.446 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -87.67 109.86 19.99 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 112.642 -2.072 . . . . 0.0 107.367 164.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.618 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 37.6 m -97.21 127.58 43.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.604 -1.635 . . . . 0.0 107.823 166.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.75 123.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 110.333 -3.121 . . . . 0.0 104.119 160.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.314 1.1 t -99.93 133.88 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 CA-C-N 109.313 -3.585 . . . . 0.0 102.566 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.76 129.05 38.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 115.964 -2.294 . . . . 0.0 109.565 169.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.03 145.82 16.07 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 112.578 -2.101 . . . . 0.0 109.694 170.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.6 120.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 171.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.6 tt -103.06 117.98 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 111.443 -2.617 . . . . 0.0 108.8 -163.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.24 -114.96 0.64 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.571 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -165.15 130.71 2.64 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.647 -1.277 . . . . 0.0 108.219 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 54.59 -163.14 0.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.764 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 t 78.29 52.18 0.03 OUTLIER 'General case' 0 C--N 1.352 0.693 0 CA-C-N 112.749 -2.023 . . . . 0.0 110.736 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m80 65.1 -157.2 0.29 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-N 113.089 -1.869 . . . . 0.0 110.014 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -68.73 0.35 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.884 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p 48.27 53.02 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-N 111.889 -2.414 . . . . 0.0 112.447 -175.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.7 21.3 1.79 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.565 -2.107 . . . . 0.0 112.76 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -128.64 -8.97 5.07 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.603 1.161 . . . . 0.0 109.404 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -138.01 128.4 26.27 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.884 -1.962 . . . . 0.0 106.407 168.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.287 20.6 mm 92.07 -30.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 112.715 -2.038 . . . . 0.0 112.08 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.26 -52.1 13.34 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 117.905 -1.518 . . . . 0.0 108.149 158.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.94 -56.03 21.52 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 111.742 -2.481 . . . . 0.0 110.494 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -56.86 -31.98 65.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.431 1.707 . . . . 0.0 113.367 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -74.01 -38.97 63.91 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 124.645 1.216 . . . . 0.0 111.764 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -75.47 -37.57 60.17 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.239 -1.8 . . . . 0.0 111.031 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -35.42 77.79 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.373 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.5 -20.62 63.72 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.132 -2.304 . . . . 0.0 112.682 174.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 6.74 23.58 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.743 0.652 . . . . 0.0 111.063 -170.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.292 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -98.23 137.9 36.3 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -77.93 104.65 8.62 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.5 t -122.53 109.71 24.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 C-N-CA 117.985 -1.486 . . . . 0.0 109.549 -162.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.7 t -90.96 110.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 110.287 -3.142 . . . . 0.0 107.061 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.0 102.13 14.44 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.824 1.297 . . . . 0.0 108.162 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 pp -72.14 -30.79 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 110.845 -2.889 . . . . 0.0 112.104 -162.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 163.55 11.13 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.961 -1.472 . . . . 0.0 109.881 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.6 m -109.17 117.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.77 -1.715 . . . . 0.0 109.872 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp 158.81 143.44 0.01 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.844 2.458 . . . . 0.0 106.089 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 t -74.06 125.69 28.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 113.876 -1.511 . . . . 0.0 110.058 177.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 171.86 93.96 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 111.653 -2.521 . . . . 0.0 106.748 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.23 -28.96 68.43 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.543 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.64 -25.82 63.1 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 125.024 1.453 . . . . 0.0 113.018 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -35.37 16.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.848 1.342 . . . . 0.0 111.997 -175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -38.11 56.96 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 122.622 1.201 . . . . 0.0 110.104 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.34 -32.9 56.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 110.572 -3.013 . . . . 0.0 110.88 165.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.79 -36.61 84.86 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 118.439 -1.305 . . . . 0.0 110.308 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -74.03 -28.66 61.53 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 116.637 -1.649 . . . . 0.0 112.628 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.34 -30.45 53.96 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 118.4 -1.32 . . . . 0.0 113.097 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.88 -36.39 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.77 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.96 -50.88 29.67 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.649 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.618 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.8 OUTLIER -92.01 -33.62 14.76 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 110.636 -2.984 . . . . 0.0 112.538 -167.55 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 80.73 75.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 CA-C-N 111.399 -2.637 . . . . 0.0 109.005 -168.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.8 135.68 56.82 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 111.952 -2.386 . . . . 0.0 110.626 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.38 -30.82 17.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.775 159.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.299 2.7 pt? -140.48 145.21 36.63 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.797 -1.547 . . . . 0.0 111.334 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 96.7 mt -124.12 127.58 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 111.263 -2.699 . . . . 0.0 106.136 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -115.02 140.65 48.88 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.706 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 121.8 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 111.08 -2.782 . . . . 0.0 107.598 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.76 113.17 25.16 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.125 1.515 . . . . 0.0 107.378 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -100.81 155.68 17.79 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.613 1.197 . . . . 0.0 110.214 -173.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.1 -85.99 0.03 OUTLIER 'General case' 0 C--N 1.351 0.664 0 CA-C-N 111.298 -2.683 . . . . 0.0 110.705 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -81.52 -140.42 0.04 OUTLIER 'General case' 0 C--N 1.358 0.96 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 163.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' CG ' ' A' ' 64' ' ' TYR . . . -84.84 57.86 5.0 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 119.669 -1.253 . . . . 0.0 112.287 160.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.86 7.79 29.06 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 123.945 0.438 . . . . 0.0 111.606 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.12 -19.07 70.52 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.433 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.34 -27.89 60.89 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.375 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.252 47.4 mm -91.13 -45.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.007 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -78.26 -56.49 4.42 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 112.752 -2.022 . . . . 0.0 113.878 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.27 -25.99 46.95 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.941 -156.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HZ1' ' HG3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -63.34 113.88 3.49 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.608 1.193 . . . . 0.0 111.614 -165.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.47 27.37 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.181 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.74 -26.04 57.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.899 1.0 . . . . 0.0 112.338 157.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -73.05 -37.96 66.65 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 117.568 -1.653 . . . . 0.0 108.653 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.375 31.5 tt0 -77.49 -26.36 51.19 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 174.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.295 27.3 mmtp -76.29 -29.29 57.33 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 125.365 1.666 . . . . 0.0 112.642 165.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.62 -36.9 57.17 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 125.269 1.605 . . . . 0.0 110.411 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.53 -43.69 96.4 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 110.671 -2.968 . . . . 0.0 109.953 173.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 24.1 mm-40 -73.12 -29.71 63.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 109.45 -3.523 . . . . 0.0 112.412 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.88 0.15 14.21 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.197 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.6 39.09 30.68 Favored Glycine 0 C--N 1.352 1.472 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 47.2 mt -140.75 54.37 1.59 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 111.561 -2.319 . . . . 0.0 107.544 -176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 116.69 29.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.071 -1.877 . . . . 0.0 108.79 172.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.37 -28.44 1.21 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 111.938 -2.392 . . . . 0.0 107.521 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.9 mp -65.24 124.77 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 111.948 -2.126 . . . . 0.0 109.949 167.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -91.01 137.57 32.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.755 163.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 5.1 mt -109.88 134.36 52.15 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 123.597 1.665 . . . . 0.0 110.878 -177.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -107.81 132.72 53.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 109.622 -3.445 . . . . 0.0 106.006 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 123.33 33.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.78 152.26 20.66 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 113.423 -1.717 . . . . 0.0 114.075 -160.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.85 -143.29 16.44 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 110.593 -2.804 . . . . 0.0 109.412 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.92 120.82 23.32 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 166.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.22 -24.9 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 124.86 1.35 . . . . 0.0 111.552 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 62.4 t -144.51 13.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-O 122.494 1.14 . . . . 0.0 112.539 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.8 t -56.05 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 111.99 -2.368 . . . . 0.0 109.796 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.79 75.63 0.03 OUTLIER Glycine 0 C--N 1.347 1.164 0 CA-C-N 113.179 -1.828 . . . . 0.0 108.893 -168.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 64.92 33.45 9.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 112.233 -1.983 . . . . 0.0 111.611 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.516 HE22 ' HE ' ' A' ' 107' ' ' ARG . 56.6 tt0 -177.15 147.55 0.56 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.738 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -154.59 154.39 32.95 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.814 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.564 1.9 m-90 13.25 -70.74 0.0 OUTLIER Pre-proline 0 C--N 1.35 0.611 0 C-N-CA 131.368 3.867 . . . . 0.0 119.759 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.02 -43.75 29.59 Favored 'Trans proline' 0 CA--C 1.551 1.37 0 N-CA-C 115.945 1.479 . . . . 0.0 115.945 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -80.18 -30.03 38.75 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.565 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.3 t -75.4 -52.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.196 -172.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.3 -37.29 80.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.346 174.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.95 -45.56 90.16 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.71 1.256 . . . . 0.0 111.744 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.516 ' HE ' HE22 ' A' ' 99' ' ' GLN . 46.6 ttm-85 -73.87 -53.31 10.48 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.319 1.012 . . . . 0.0 111.797 -170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -50.23 64.92 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.2 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -73.5 -28.7 62.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.827 -2.442 . . . . 0.0 111.854 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.99 69.72 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 112.171 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.466 ' HG3' ' HZ1' ' A' ' 72' ' ' LYS . 10.0 mmt -68.04 -54.11 20.77 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 118.882 -1.127 . . . . 0.0 109.128 169.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.51 6.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.553 0 CA-C-N 113.032 -1.895 . . . . 0.0 113.812 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.58 136.68 56.79 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-O 121.706 0.765 . . . . 0.0 109.325 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.01 -62.02 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 113.188 -1.824 . . . . 0.0 110.485 -172.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -145.17 147.98 33.07 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.971 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.13 115.69 46.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.001 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -85.08 135.79 39.07 Favored Pre-proline 0 C--N 1.351 0.65 0 CA-C-N 113.47 -1.695 . . . . 0.0 110.015 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -55.71 179.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.428 2.086 . . . . 0.0 114.917 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -62.86 115.79 3.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 121.176 1.251 . . . . 0.0 113.396 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.09 71.68 0.89 Allowed Glycine 0 C--N 1.352 1.439 0 CA-C-N 113.637 -1.62 . . . . 0.0 112.776 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.17 137.5 40.36 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.659 -1.771 . . . . 0.0 111.6 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.557 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.1 p -48.9 159.3 0.57 Allowed Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.5 168.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.07 -14.14 8.69 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.475 1.45 . . . . 0.0 113.005 174.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.98 62.15 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.312 -173.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.557 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -68.91 -31.68 70.76 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.621 174.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 -39.98 31.78 Favored 'General case' 0 N--CA 1.437 -1.081 0 O-C-N 126.485 2.366 . . . . 0.0 108.981 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.2 -34.03 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 110.773 -2.921 . . . . 0.0 109.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.35 65.56 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.428 -1.714 . . . . 0.0 111.481 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.476 23.0 p30 -77.03 -29.02 55.12 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 113.291 -3.364 . . . . 0.0 115.046 176.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.0 ptp -72.73 -29.76 63.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.899 173.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.24 -57.16 8.17 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.113 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.48 -45.32 92.0 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.924 -1.944 . . . . 0.0 114.555 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.79 -46.3 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.274 -174.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.5 mt -82.87 -1.76 52.92 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.186 -1.37 . . . . 0.0 112.11 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.27 71.61 1.07 Allowed Glycine 0 C--N 1.356 1.67 0 O-C-N 124.223 0.952 . . . . 0.0 110.807 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.0 t -143.89 165.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 112.426 -1.887 . . . . 0.0 107.058 -171.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.937 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 122.284 1.04 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.4 -44.1 92.35 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.612 -2.086 . . . . 0.0 110.254 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.22 165.34 11.69 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 111.898 -2.41 . . . . 0.0 106.985 170.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -95.23 109.67 21.76 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.554 HG21 ' CG2' ' A' ' 53' ' ' THR . 98.1 m -93.83 139.48 30.82 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.557 -2.111 . . . . 0.0 107.043 169.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.84 133.21 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 110.609 -2.996 . . . . 0.0 105.531 163.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -122.77 116.88 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 111.157 -2.747 . . . . 0.0 105.406 -167.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.3 128.99 38.94 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.223 -2.591 . . . . 0.0 110.924 -173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.21 145.37 15.86 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 111.137 -2.756 . . . . 0.0 109.264 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.6 t -97.92 121.0 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 168.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -96.72 121.8 47.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.198 -163.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.62 53.68 11.82 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 111.292 -2.686 . . . . 0.0 111.065 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -101.79 164.11 11.9 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 112.154 -2.023 . . . . 0.0 109.961 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -167.65 44.05 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.589 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -163.47 -64.56 0.04 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-N 113.481 -1.691 . . . . 0.0 110.632 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -166.37 168.7 14.73 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.58 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.39 81.44 3.87 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 113.386 -1.734 . . . . 0.0 109.435 165.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -87.75 137.8 20.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 CA-C-N 112.577 -2.102 . . . . 0.0 106.938 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.33 13.53 81.45 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 113.367 -1.742 . . . . 0.0 112.333 -172.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -169.71 42.0 0.03 OUTLIER 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.179 1.466 . . . . 0.0 108.474 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -79.12 -21.95 45.85 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.886 177.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.28 -22.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 124.646 1.216 . . . . 0.0 111.089 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.14 -52.01 67.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.592 1.183 . . . . 0.0 111.832 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.6 -48.75 74.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 113.215 -1.811 . . . . 0.0 112.921 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -56.22 -44.12 79.24 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.645 1.841 . . . . 0.0 111.576 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -75.7 -26.87 57.94 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.622 -174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -67.21 -36.4 81.62 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.635 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.72 84.4 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.903 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -68.86 -20.61 64.28 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.461 -2.154 . . . . 0.0 112.767 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.6 3.35 41.15 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.964 0.79 . . . . 0.0 110.522 -168.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.19 21.05 78.67 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.58 -1.645 . . . . 0.0 111.035 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.08 143.7 26.13 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 104.83 8.72 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.2 t -124.06 108.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 CA-C-N 113.878 -1.51 . . . . 0.0 107.957 -170.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.45 110.75 26.55 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.057 174.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.15 104.78 17.3 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.788 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.45 -13.75 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 111.982 -2.372 . . . . 0.0 112.0 -170.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.11 170.05 23.18 Favored Glycine 0 C--N 1.357 1.741 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.686 163.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -80.91 149.06 5.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 112.089 -2.056 . . . . 0.0 108.961 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 tp 57.82 86.26 0.08 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.023 -1.899 . . . . 0.0 110.692 -174.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -159.27 162.93 36.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 109.98 -3.282 . . . . 0.0 106.971 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -151.81 178.89 8.92 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.208 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -47.99 -28.83 2.98 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -163.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -60.92 -39.27 88.76 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.172 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -81.09 -32.63 33.8 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.986 -1.461 . . . . 0.0 113.124 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.422 ' CE2' HG13 ' A' ' 60' ' ' VAL . 21.0 m-85 -74.05 -48.18 31.73 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.563 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 pt -59.25 -32.87 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 113.242 -1.799 . . . . 0.0 111.028 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -68.06 -29.03 67.89 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 125.24 1.587 . . . . 0.0 110.823 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -74.02 -28.84 61.63 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 115.701 -2.095 . . . . 0.0 112.135 170.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.51 -30.67 61.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.339 1.427 . . . . 0.0 113.548 173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.7 mt -70.39 -36.06 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 113.527 -1.67 . . . . 0.0 108.15 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.11 -51.07 11.65 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.695 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.554 ' CG2' HG21 ' A' ' 5' ' ' THR . 1.4 t -84.05 -39.55 19.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.59 -2.55 . . . . 0.0 112.634 -165.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.417 ' N ' ' CG2' ' A' ' 53' ' ' THR . 29.3 mtpt 91.05 66.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 126.851 2.595 . . . . 0.0 110.608 -167.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.429 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -86.06 137.47 32.67 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.363 -1.744 . . . . 0.0 110.803 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.32 -24.35 20.9 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.485 165.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.2 pt? -140.29 145.04 36.75 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 123.417 1.579 . . . . 0.0 112.853 -175.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -127.96 107.82 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 110.031 -3.259 . . . . 0.0 108.575 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 m -103.62 114.67 29.11 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.628 1.205 . . . . 0.0 111.26 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG13 ' CE2' ' A' ' 46' ' ' PHE . 11.1 m -97.72 148.18 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 122.113 0.958 . . . . 0.0 109.557 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.1 117.33 30.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 112.039 -2.346 . . . . 0.0 108.506 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 t -100.98 164.27 11.9 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 122.398 1.094 . . . . 0.0 109.206 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mp -120.88 -24.19 5.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.096 -165.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -47.7 0.77 Allowed 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.757 1.285 . . . . 0.0 109.305 176.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.11 19.3 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 112.618 -2.083 . . . . 0.0 111.428 -162.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.11 16.11 3.72 Favored 'General case' 0 C--N 1.363 1.191 0 O-C-N 124.292 0.642 . . . . 0.0 110.752 167.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -18.91 79.02 Favored Glycine 0 C--N 1.349 1.267 0 CA-C-N 113.36 -1.746 . . . . 0.0 109.669 162.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -39.85 48.28 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-O 122.54 1.162 . . . . 0.0 109.552 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.33 -32.34 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 111.749 -2.478 . . . . 0.0 110.44 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.33 -35.11 68.5 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.102 -1.408 . . . . 0.0 110.016 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.7 t -51.63 -38.94 56.98 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.117 -172.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 111.86 14.41 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.74 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.82 78.85 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 111.837 -2.438 . . . . 0.0 115.877 153.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.4 tp -75.78 -25.97 56.93 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.339 1.069 . . . . 0.0 111.186 152.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -57.83 -50.45 73.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.992 1.432 . . . . 0.0 109.984 166.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 27.8 mt-10 -77.6 -26.46 50.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.285 32.5 mmtp -76.51 -29.46 56.8 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 125.137 1.523 . . . . 0.0 112.966 168.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 83' ' ' LEU . 47.4 t -77.08 -40.2 46.92 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 125.675 1.86 . . . . 0.0 109.596 174.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.82 -39.65 93.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 110.439 -3.073 . . . . 0.0 110.078 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 27.8 mt-10 -73.09 -29.46 62.94 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 110.384 -3.098 . . . . 0.0 112.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.58 -0.34 14.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.4 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.02 17.76 79.85 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.244 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.436 ' HB2' ' SG ' ' A' ' 78' ' ' CYS . 35.5 mt -90.79 -25.81 19.76 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 113.243 -1.479 . . . . 0.0 111.519 -173.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 114.0 0.12 Allowed 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.798 1.936 . . . . 0.0 114.02 -170.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.35 -27.48 0.78 Allowed Glycine 0 C--N 1.344 0.994 0 CA-C-N 111.062 -2.79 . . . . 0.0 107.605 -170.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.99 136.23 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 111.574 -2.313 . . . . 0.0 110.42 166.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.56 134.22 34.23 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 108.928 -3.76 . . . . 0.0 108.046 162.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.8 mt -109.8 137.17 47.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-O 123.329 1.538 . . . . 0.0 108.871 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -107.48 146.18 32.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 110.208 -3.178 . . . . 0.0 107.821 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.26 123.82 34.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 113.032 -1.895 . . . . 0.0 107.674 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.01 23.89 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 113.815 -1.539 . . . . 0.0 110.967 -171.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.4 108.24 0.24 Allowed Glycine 0 CA--C 1.536 1.351 0 CA-C-N 112.351 -1.924 . . . . 0.0 111.825 170.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 56.83 53.74 7.9 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 122.414 1.102 . . . . 0.0 110.246 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 pt -75.24 -55.95 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 111.866 -2.425 . . . . 0.0 112.561 -161.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.441 ' CG2' ' H ' ' A' ' 96' ' ' VAL . 9.4 p -129.08 173.08 14.4 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-O 123.853 1.787 . . . . 0.0 110.361 -163.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.441 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 58.5 t -137.57 133.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 108.618 -3.901 . . . . 0.0 108.391 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.26 39.52 2.25 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 111.756 -2.475 . . . . 0.0 110.567 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.55 113.89 0.03 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.736 -1.732 . . . . 0.0 110.82 -176.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.79 108.35 2.09 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 112.81 -1.996 . . . . 0.0 110.619 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -138.24 82.21 1.9 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.364 -2.198 . . . . 0.0 108.282 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.3 1.9 m-90 -8.36 -61.48 0.01 OUTLIER Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 119.305 3.076 . . . . 0.0 119.305 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 -39.24 91.07 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 114.924 1.086 . . . . 0.0 114.924 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.99 -43.07 22.65 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.859 -1.973 . . . . 0.0 111.597 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.76 -57.95 8.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 113.89 -1.504 . . . . 0.0 110.246 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.46 -28.35 69.15 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.186 1.554 . . . . 0.0 112.528 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -57.77 -43.02 85.25 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 118.155 -1.418 . . . . 0.0 111.449 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -78.1 -37.91 45.28 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.937 -1.483 . . . . 0.0 112.494 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.04 -39.37 61.07 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.09 0.869 . . . . 0.0 111.189 -171.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -71.23 -28.63 64.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.944 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.93 67.94 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 124.158 0.911 . . . . 0.0 112.073 173.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 22.8 mmt -74.87 -37.08 62.26 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 124.153 0.908 . . . . 0.0 109.584 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.46 -17.4 3.76 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-N 112.776 -2.011 . . . . 0.0 112.406 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.17 115.8 5.35 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 122.004 0.907 . . . . 0.0 109.231 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.39 -37.39 71.57 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.745 -2.48 . . . . 0.0 111.892 -161.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -140.96 147.49 38.85 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 124.976 1.422 . . . . 0.0 110.874 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.34 113.94 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 110.649 -2.978 . . . . 0.0 110.077 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -93.05 146.5 32.09 Favored Pre-proline 0 C--N 1.36 1.062 0 O-C-N 124.043 0.839 . . . . 0.0 111.371 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -62.81 -178.86 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 122.086 1.857 . . . . 0.0 114.961 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.89 120.98 6.96 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 122.452 2.101 . . . . 0.0 111.485 162.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.49 66.19 2.21 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.589 -1.641 . . . . 0.0 111.384 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.89 137.73 35.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 111.943 -2.128 . . . . 0.0 109.313 -177.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.53 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -49.7 149.13 4.62 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.291 158.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.06 -9.91 10.47 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 121.043 1.162 . . . . 0.0 113.497 173.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.28 -29.71 68.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.53 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -70.93 -36.66 72.73 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 113.38 -1.737 . . . . 0.0 112.382 177.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.41 -32.78 42.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 126.285 2.24 . . . . 0.0 109.194 -173.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.3 mt -75.15 -39.76 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.728 -2.487 . . . . 0.0 110.414 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.62 64.22 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.348 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.99 -55.18 24.24 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 116.447 -2.101 . . . . 0.0 112.732 172.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 21.5 ptp -65.32 -33.09 75.15 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.986 0.804 . . . . 0.0 112.305 -173.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.93 -56.73 5.59 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.373 -1.74 . . . . 0.0 109.769 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.05 -37.35 82.33 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.94 -38.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.878 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.09 -4.33 58.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.495 1.122 . . . . 0.0 111.876 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.33 79.15 0.36 Allowed Glycine 0 C--N 1.353 1.52 0 O-C-N 124.297 0.998 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.82 155.85 8.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.926 -1.637 . . . . 0.0 107.661 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 CA--C 1.543 0.684 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.563 -179.213 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 121.511 0.672 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.37 131.06 37.87 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.184 -1.825 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.04 165.26 26.11 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.532 -2.122 . . . . 0.0 108.262 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 109.82 22.5 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 112.237 -2.256 . . . . 0.0 106.659 168.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.589 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 94.5 m -92.74 130.54 38.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 112.498 -2.137 . . . . 0.0 107.801 170.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 131.78 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 CA-C-N 110.313 -3.13 . . . . 0.0 104.87 160.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.26 1.2 t -117.36 136.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 109.832 -3.349 . . . . 0.0 103.618 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 129.16 38.66 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.603 -2.439 . . . . 0.0 108.771 167.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.05 145.84 16.07 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 111.863 -2.426 . . . . 0.0 110.824 173.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.43 120.63 47.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.82 144.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 111.364 -2.653 . . . . 0.0 112.13 -160.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.39 -26.09 6.44 Favored Glycine 0 C--N 1.352 1.449 0 CA-C-N 111.35 -2.659 . . . . 0.0 111.246 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t 64.37 154.1 0.06 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-N 113.33 -1.435 . . . . 0.0 110.568 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 58.23 68.16 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.042 -1.89 . . . . 0.0 110.504 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' HG ' ' H ' ' A' ' 16' ' ' HIS . 11.9 t -146.63 -162.16 1.47 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.518 -2.128 . . . . 0.0 108.007 -173.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' H ' ' HG ' ' A' ' 15' ' ' CYS . 19.7 p80 -160.78 149.51 16.57 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.079 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.9 70.56 9.5 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.472 -1.695 . . . . 0.0 111.237 -173.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.74 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.018 -1.901 . . . . 0.0 108.123 169.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 -54.89 3.77 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 114.088 -1.415 . . . . 0.0 110.379 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -61.68 -88.77 0.01 OUTLIER 'General case' 0 C--N 1.354 0.786 0 CA-C-N 112.835 -1.683 . . . . 0.0 109.072 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? 66.4 -97.82 0.05 OUTLIER 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.033 1.458 . . . . 0.0 110.516 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.96 54.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 123.278 1.513 . . . . 0.0 109.652 169.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.01 -25.44 60.97 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 110.786 -2.915 . . . . 0.0 108.816 147.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -50.87 -48.64 60.17 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.989 -1.459 . . . . 0.0 110.208 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -46.99 -43.01 18.95 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 125.918 2.011 . . . . 0.0 113.254 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -37.65 83.79 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.79 1.307 . . . . 0.0 112.034 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -76.0 -35.63 59.5 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.831 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.44 79.58 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.4 1.095 . . . . 0.0 109.436 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.26 -20.48 62.9 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 111.561 -2.563 . . . . 0.0 112.774 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 4.8 21.09 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 123.753 0.658 . . . . 0.0 110.677 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 17.26 74.56 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -92.56 156.16 17.31 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 117.294 -1.762 . . . . 0.0 108.9 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -77.84 104.98 8.72 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 162.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.54 108.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 113.207 -1.815 . . . . 0.0 107.684 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.71 117.36 45.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 110.401 -3.09 . . . . 0.0 106.9 179.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -85.83 100.97 12.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.744 -2.025 . . . . 0.0 106.683 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -41.0 80.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.389 -167.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.96 156.07 8.02 Favored Glycine 0 C--N 1.352 1.469 0 CA-C-N 113.049 -1.887 . . . . 0.0 111.184 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 t -80.9 170.13 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 110.69 -2.755 . . . . 0.0 105.514 159.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tp 83.96 38.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.328 1.018 . . . . 0.0 110.719 172.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -179.16 4.15 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.704 -170.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 m -153.38 -170.04 3.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.718 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.01 -45.22 31.61 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -166.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.01 -24.95 63.37 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 124.433 1.083 . . . . 0.0 111.905 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.88 -31.4 40.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.659 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.58 -37.44 56.5 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.639 1.685 . . . . 0.0 112.166 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.89 -36.25 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.115 -3.675 . . . . 0.0 112.981 158.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -70.76 -28.83 64.98 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.083 0.864 . . . . 0.0 111.282 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -70.89 -28.67 64.71 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 116.527 -1.702 . . . . 0.0 111.596 164.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.55 65.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.595 -1.242 . . . . 0.0 113.879 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.5 mt -68.28 -36.94 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 172.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.12 -50.74 25.53 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.384 -1.734 . . . . 0.0 111.771 -172.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.589 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.26 -36.06 15.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.295 -3.139 . . . . 0.0 111.468 -167.755 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.1 mttm 80.79 79.84 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 CA-C-N 111.942 -2.39 . . . . 0.0 109.794 -166.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -71.26 139.35 49.98 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 112.477 -2.147 . . . . 0.0 111.886 -175.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -90.36 -34.22 15.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.567 156.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.317 2.6 pt? -140.31 144.97 36.64 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 123.317 1.532 . . . . 0.0 112.916 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.522 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 44.2 mt -123.35 126.75 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 110.349 -3.114 . . . . 0.0 106.843 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 t -115.05 141.07 48.5 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.065 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.78 121.86 60.81 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 111.021 -2.809 . . . . 0.0 106.409 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 112.82 24.89 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 112.877 -1.965 . . . . 0.0 107.424 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 120.92 41.44 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.659 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.0 mt -135.34 42.11 2.74 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 112.416 -2.175 . . . . 0.0 109.112 -167.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.8 2.53 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.767 -171.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.77 37.14 92.0 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 124.136 0.897 . . . . 0.0 113.328 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -144.63 35.4 1.16 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.554 -1.323 . . . . 0.0 108.499 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -71.69 -40.85 58.0 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 112.597 -2.092 . . . . 0.0 110.902 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -65.35 -27.93 68.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 125.023 1.072 . . . . 0.0 111.87 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.96 -44.61 92.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 O-C-N 124.753 1.283 . . . . 0.0 110.696 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -56.34 4.58 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.584 1.178 . . . . 0.0 111.853 173.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 71.2 m -56.75 -25.66 55.51 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.685 -2.052 . . . . 0.0 113.655 -164.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 112.0 0.91 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.695 1.247 . . . . 0.0 111.224 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.88 56.35 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.847 -1.979 . . . . 0.0 112.474 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.7 tp -75.75 -26.23 57.24 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.432 0.724 . . . . 0.0 111.076 153.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -63.98 -45.24 89.96 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.368 169.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.326 27.9 mt-10 -77.49 -26.29 51.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -29.61 56.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.563 1.79 . . . . 0.0 111.894 167.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.34 -35.16 54.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.537 1.637 . . . . 0.0 110.858 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.62 -43.37 84.93 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 109.942 -3.299 . . . . 0.0 109.789 172.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.314 25.4 mm-40 -73.24 -29.77 63.0 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 109.898 -3.319 . . . . 0.0 112.845 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 0.54 12.89 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.832 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 38.77 34.67 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -141.23 47.15 1.71 Allowed 'General case' 0 C--N 1.347 0.5 0 CA-C-N 111.735 -2.233 . . . . 0.0 108.566 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 116.63 22.88 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.329 172.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.88 -28.83 0.92 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 112.311 -2.222 . . . . 0.0 107.944 -170.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.97 124.87 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 111.528 -2.336 . . . . 0.0 110.222 168.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -89.28 150.45 22.6 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 109.865 -3.334 . . . . 0.0 108.039 158.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.522 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 22.5 mt -125.82 137.72 53.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.675 1.226 . . . . 0.0 111.286 -170.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -107.81 132.51 53.34 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.532 170.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.02 123.6 34.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.97 152.16 24.0 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 112.951 -1.931 . . . . 0.0 113.407 -168.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.8 -146.38 16.3 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 110.743 -2.729 . . . . 0.0 108.589 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.91 -48.9 51.09 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.266 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.5 pt 49.39 35.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 111.103 -2.772 . . . . 0.0 112.892 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t -147.94 163.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 112.082 -2.326 . . . . 0.0 105.588 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -92.08 50.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 112.207 -2.269 . . . . 0.0 109.744 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 171.08 -110.77 0.37 Allowed Glycine 0 C--N 1.349 1.284 0 CA-C-N 112.514 -2.13 . . . . 0.0 108.862 -174.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.05 41.98 0.01 OUTLIER 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.305 -1.448 . . . . 0.0 110.395 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -62.92 137.98 58.42 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 113.87 -1.513 . . . . 0.0 109.95 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -103.84 54.08 0.74 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.391 -162.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.44 1.3 m-90 85.75 -5.11 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.321 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 164.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.8 -52.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.373 1.847 0 CA-C-N 123.246 2.195 . . . . 0.0 112.22 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.24 -29.92 38.46 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.94 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.97 -49.1 83.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.205 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -66.58 -33.76 76.38 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.606 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -61.54 -37.14 82.7 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.333 1.02 . . . . 0.0 111.853 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -74.33 -53.22 10.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.944 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.73 -55.01 12.74 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.413 -1.722 . . . . 0.0 111.275 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -64.66 -30.28 71.29 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.119 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.1 94.33 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.824 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.2 ptm -74.2 -21.65 59.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.976 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.28 -2.72 2.35 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 124.485 1.115 . . . . 0.0 114.975 162.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -54.8 134.55 47.9 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.965 0.888 . . . . 0.0 111.222 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.92 -56.54 11.22 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 112.458 -2.155 . . . . 0.0 110.697 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -134.99 146.6 49.22 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.093 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.07 113.78 39.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.07 -2.332 . . . . 0.0 107.455 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.402 ' HH ' ' CG ' ' A' ' 129' ' ' ASP . 95.1 m-85 -92.56 122.21 64.74 Favored Pre-proline 0 C--N 1.347 0.475 0 CA-C-N 112.67 -2.059 . . . . 0.0 112.458 -175.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -52.8 165.35 1.19 Allowed 'Trans proline' 0 C--N 1.371 1.744 0 N-CA-C 114.936 1.091 . . . . 0.0 114.936 167.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.96 0.27 3.31 Favored 'Trans proline' 0 C--N 1.369 1.61 0 N-CA-C 119.152 2.712 . . . . 0.0 119.152 -167.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.43 75.55 0.17 Allowed Glycine 0 C--N 1.348 1.209 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.08 137.33 40.5 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.023 -2.088 . . . . 0.0 110.079 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.519 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.2 p -50.76 169.41 0.21 Allowed Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.686 -2.507 . . . . 0.0 111.387 168.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.76 -19.87 5.81 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 120.906 1.071 . . . . 0.0 113.461 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -74.35 -29.97 61.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.273 -168.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.519 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -73.17 -31.77 64.44 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.847 177.165 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -39.63 32.66 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 126.418 2.324 . . . . 0.0 108.943 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 85.8 mt -75.04 -32.8 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 109.601 -3.454 . . . . 0.0 108.588 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.24 65.32 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.526 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' CG ' ' HH ' ' A' ' 117' ' ' TYR 0.433 27.9 p30 -75.64 -31.46 59.83 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 114.058 -3.057 . . . . 0.0 114.509 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 8.1 ptp -71.75 -40.15 69.54 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 118.066 -1.453 . . . . 0.0 112.545 171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -63.56 -57.07 11.3 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.15 -33.87 71.41 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.038 -1.437 . . . . 0.0 114.214 -176.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.86 -45.38 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.972 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 70.2 mt -83.55 8.42 14.19 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.006 -173.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.07 53.7 6.08 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 122.214 0.897 . . . . 0.0 111.256 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -149.17 177.11 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 112.09 -2.055 . . . . 0.0 106.537 -174.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.962 172.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mtp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.963 0.887 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.15 67.85 2.62 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 112.584 -2.098 . . . . 0.0 110.387 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.27 165.45 11.49 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 112.432 -2.167 . . . . 0.0 106.186 168.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -89.48 109.45 20.38 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 116.765 -1.974 . . . . 0.0 107.056 165.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.636 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 26.5 m -87.78 141.98 28.17 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 112.725 -2.034 . . . . 0.0 106.15 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.2 mt -107.27 122.4 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 159.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.294 2.2 t -100.26 116.98 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.158 0 CA-C-N 109.379 -3.555 . . . . 0.0 101.766 175.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.06 128.93 39.29 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 116.34 -2.144 . . . . 0.0 107.133 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.78 145.66 16.06 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 110.932 -2.849 . . . . 0.0 108.595 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 42.6 t -97.47 120.17 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tt -96.81 130.4 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 111.968 -2.378 . . . . 0.0 107.323 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.88 117.85 2.56 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 111.989 -2.369 . . . . 0.0 108.261 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.87 103.88 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 111.242 -2.479 . . . . 0.0 112.49 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -74.23 74.34 1.8 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 111.857 -2.429 . . . . 0.0 108.781 169.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t 177.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.885 -1.962 . . . . 0.0 108.709 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -80.3 145.68 32.0 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.211 -2.268 . . . . 0.0 110.036 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.44 79.28 0.31 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 125.247 1.592 . . . . 0.0 109.711 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.8 t -127.83 89.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 112.975 -1.92 . . . . 0.0 106.917 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.85 -38.66 0.57 Allowed Glycine 0 C--N 1.346 1.126 0 CA-C-N 111.891 -2.413 . . . . 0.0 108.405 -170.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 111.597 -2.302 . . . . 0.0 110.91 166.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.86 137.25 50.61 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.634 -2.075 . . . . 0.0 111.302 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.345 0.5 OUTLIER 90.64 -46.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-N 111.173 -2.739 . . . . 0.0 109.521 -175.139 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.09 -52.24 15.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.096 -164.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.81 -29.91 69.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.013 -1.903 . . . . 0.0 112.701 -173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -70.36 -43.11 70.82 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.805 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -60.37 -38.36 83.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.062 -1.881 . . . . 0.0 114.076 -168.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -73.45 -35.4 65.73 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.171 -1.377 . . . . 0.0 110.91 -173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -35.63 80.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.161 -1.836 . . . . 0.0 110.068 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.51 -20.63 62.82 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.228 -2.26 . . . . 0.0 112.256 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.24 4.36 50.84 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.153 0.908 . . . . 0.0 110.358 -170.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.95 76.16 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.35 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.62 147.88 22.83 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' THR . 7.0 t30 -77.9 111.71 14.02 Favored 'General case' 0 C--N 1.361 1.07 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 175.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.4 t -127.32 108.88 19.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 118.054 -1.458 . . . . 0.0 109.171 -173.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.01 110.97 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 110.787 -2.915 . . . . 0.0 107.493 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -85.96 104.42 15.57 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.99 -1.914 . . . . 0.0 107.076 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.82 -19.55 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 112.831 -1.986 . . . . 0.0 111.117 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.08 -172.19 23.18 Favored Glycine 0 C--N 1.355 1.61 0 CA-C-N 113.682 -1.599 . . . . 0.0 110.344 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 m -80.93 118.01 27.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 CA-C-N 112.605 -1.797 . . . . 0.0 108.095 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 134.56 2.29 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.051 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -104.47 52.98 0.74 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.503 -1.68 . . . . 0.0 111.486 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 m -162.49 118.88 1.95 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -28.86 67.14 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.128 -1.851 . . . . 0.0 111.876 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.95 -33.15 62.07 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.732 1.27 . . . . 0.0 112.102 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.23 -27.08 30.19 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 113.991 -1.458 . . . . 0.0 112.311 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -47.1 25.5 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.003 0.906 . . . . 0.0 110.005 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.8 mt -49.91 -32.53 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 129.805 3.242 . . . . 0.0 112.05 158.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -36.52 79.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 116.854 -1.938 . . . . 0.0 109.622 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.89 -55.13 14.01 Favored 'General case' 0 C--N 1.361 1.094 0 CA-C-O 115.179 -2.343 . . . . 0.0 111.412 158.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.56 70.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 113.026 -3.47 . . . . 0.0 116.717 -162.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.68 -53.16 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.722 167.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.58 -50.74 56.95 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.636 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 14.1 t -84.53 -44.14 13.86 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.704 -168.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttt 95.32 73.95 0.0 OUTLIER 'General case' 0 C--N 1.35 0.609 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.484 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.409 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -56.63 133.9 54.1 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 110.824 -2.898 . . . . 0.0 109.05 169.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -26.94 19.5 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.312 153.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.45 144.72 36.26 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.982 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 35.6 mt -120.33 129.54 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 111.185 -2.734 . . . . 0.0 108.307 176.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.19 138.27 51.11 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.969 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 121.78 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 111.595 -2.548 . . . . 0.0 107.132 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -115.09 112.81 23.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.188 1.555 . . . . 0.0 109.356 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 p -100.89 164.06 12.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.152 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.7 mt -139.7 16.77 2.51 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.633 -160.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -166.95 -5.1 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -159.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 -4.8 67.97 Favored Glycine 0 CA--C 1.547 2.068 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.287 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.38 27.44 4.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.404 1.097 . . . . 0.0 109.265 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -76.06 -40.79 28.95 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-N 113.355 -1.748 . . . . 0.0 110.272 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.85 -32.19 69.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.601 -1.8 . . . . 0.0 112.319 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.96 -44.35 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.479 -172.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -48.55 17.08 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 73.7 m -56.56 -25.56 52.59 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.317 -2.22 . . . . 0.0 113.431 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -49.65 112.07 0.6 Allowed 'General case' 0 CA--C 1.548 0.9 0 O-C-N 124.763 1.29 . . . . 0.0 112.164 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.55 44.03 17.46 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.398 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tt -75.58 -29.47 59.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.615 0.832 . . . . 0.0 110.11 154.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 -61.82 -43.46 98.8 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 116.397 -2.121 . . . . 0.0 110.191 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.329 31.3 mt-10 -77.45 -26.29 51.32 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 117.716 2.487 . . . . 0.0 117.716 179.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.254 96.6 mttt -76.47 -29.59 56.95 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 125.193 1.558 . . . . 0.0 113.656 166.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.7 t -77.2 -35.26 55.84 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.388 1.566 . . . . 0.0 111.264 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -76.82 -34.0 57.93 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 110.293 -3.14 . . . . 0.0 109.358 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.329 0.0 OUTLIER -73.21 -29.86 63.1 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 116.492 -2.083 . . . . 0.0 112.891 176.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 0.26 13.54 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.328 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 34.64 47.12 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -134.67 37.67 3.08 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.983 -2.109 . . . . 0.0 109.501 -173.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 116.5 18.75 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.842 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.77 -34.55 0.87 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-N 111.703 -2.498 . . . . 0.0 107.41 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.89 124.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 111.624 -2.288 . . . . 0.0 110.633 169.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.21 148.33 23.01 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 109.8 -3.364 . . . . 0.0 108.048 171.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.406 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 49.0 mt -127.8 132.62 49.46 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.562 1.649 . . . . 0.0 112.043 -164.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -107.91 141.47 39.48 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 110.466 -3.061 . . . . 0.0 107.843 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.7 34.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 CA-C-N 112.854 -1.975 . . . . 0.0 107.432 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.49 152.17 22.33 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 113.205 -1.816 . . . . 0.0 111.665 -167.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.96 -130.63 10.31 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.611 -2.294 . . . . 0.0 109.765 171.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.0 76.17 9.86 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.762 1.267 . . . . 0.0 109.687 -172.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.8 pt -80.77 -49.02 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 111.462 -2.608 . . . . 0.0 111.287 -169.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.2 t -143.98 6.58 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 113.435 -1.711 . . . . 0.0 111.745 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -52.4 129.84 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 112.137 -2.302 . . . . 0.0 111.409 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.87 60.16 0.48 Allowed Glycine 0 C--N 1.346 1.089 0 CA-C-N 111.29 -2.687 . . . . 0.0 107.329 -165.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? 73.76 115.28 0.06 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 111.536 -2.332 . . . . 0.0 109.23 -168.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -161.82 147.25 13.34 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.55 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -162.47 110.95 1.37 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.528 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.391 1.7 m-90 8.19 -67.76 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 129.916 3.286 . . . . 0.0 119.139 163.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.8 -38.62 85.45 Favored 'Trans proline' 0 C--N 1.362 1.239 0 N-CA-C 115.567 1.334 . . . . 0.0 115.567 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.14 -46.71 15.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 113.252 -1.794 . . . . 0.0 111.332 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.16 -59.01 4.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.38 -174.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.39 -27.78 68.12 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 112.59 -2.095 . . . . 0.0 112.994 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -55.7 -35.53 66.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 117.656 -1.618 . . . . 0.0 112.112 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -52.99 11.45 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.265 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -68.42 -32.13 71.95 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.313 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -81.08 -28.42 35.28 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 125.175 1.547 . . . . 0.0 111.407 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.62 -29.63 66.65 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 124.299 1.0 . . . . 0.0 111.566 168.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 20.9 mmt -79.28 -43.68 23.19 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.65 10.57 9.23 Favored Glycine 0 CA--C 1.54 1.599 0 CA-C-N 113.425 -1.716 . . . . 0.0 114.11 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -52.17 115.98 1.98 Allowed 'General case' 0 C--N 1.36 1.028 0 CA-C-O 121.214 0.531 . . . . 0.0 111.089 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -36.82 -59.55 0.68 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 125.877 1.986 . . . . 0.0 112.951 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -145.11 156.15 43.73 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 124.826 1.329 . . . . 0.0 109.968 168.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -111.89 113.99 45.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.83 -2.441 . . . . 0.0 108.962 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -88.93 143.79 31.95 Favored Pre-proline 0 C--N 1.359 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 111.747 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.02 179.82 0.53 Allowed 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.508 2.139 . . . . 0.0 114.822 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.74 117.66 4.58 Favored 'Trans proline' 0 C--N 1.363 1.308 0 C-N-CA 121.466 1.444 . . . . 0.0 110.643 165.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.33 66.94 1.6 Allowed Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.526 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.52 40.19 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.358 -1.921 . . . . 0.0 110.29 -177.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.564 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -48.56 157.16 0.75 Allowed Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.87 162.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.41 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.17 1.247 . . . . 0.0 112.909 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.25 -29.73 64.19 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.531 1.144 . . . . 0.0 111.467 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.564 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -72.56 -34.43 67.49 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 124.925 1.391 . . . . 0.0 112.02 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.71 -37.8 34.86 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 126.472 2.357 . . . . 0.0 108.965 -171.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 82.9 mt -75.22 -37.12 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.94 63.91 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.881 1.363 . . . . 0.0 111.033 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -59.75 -55.53 33.19 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.18 -2.208 . . . . 0.0 112.229 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.906 0.754 . . . . 0.0 112.315 -174.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.75 -57.07 14.52 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.525 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.5 -57.06 14.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.682 -1.599 . . . . 0.0 113.267 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.22 -47.07 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 112.523 -2.126 . . . . 0.0 113.278 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.31 8.97 19.29 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.193 0.933 . . . . 0.0 111.841 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.73 71.85 1.0 Allowed Glycine 0 C--N 1.355 1.627 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.548 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -146.4 162.44 9.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 112.897 -1.652 . . . . 0.0 107.052 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.869 177.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.74 -55.78 5.19 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.854 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 165.21 14.7 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.516 -2.129 . . . . 0.0 107.536 170.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 115.42 28.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.011 -1.904 . . . . 0.0 107.724 172.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.7 m -82.92 128.14 34.17 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 110.927 -2.851 . . . . 0.0 107.477 176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.99 149.15 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.17 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 170.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 5.3 t -130.17 116.82 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.404 0 CA-C-N 108.954 -3.748 . . . . 0.0 103.245 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.7 129.01 50.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 103.284 -2.858 . . . . 0.0 103.284 167.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.32 142.95 14.79 Favored Glycine 0 C--N 1.344 0.975 0 N-CA-C 103.835 -3.706 . . . . 0.0 103.835 167.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t -98.03 120.63 47.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 117.878 -1.529 . . . . 0.0 107.003 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.62 117.74 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.295 -177.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.92 25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 CA-C-N 110.772 -2.922 . . . . 0.0 112.42 173.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.9 p 52.89 -155.44 0.19 Allowed 'General case' 0 C--N 1.361 1.069 0 O-C-N 124.973 1.043 . . . . 0.0 112.496 164.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.59 109.88 1.0 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.965 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.4 t -159.84 -77.24 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-N 112.914 -1.948 . . . . 0.0 108.529 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -163.28 -65.85 0.04 OUTLIER 'General case' 0 C--N 1.355 0.832 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 122.68 17.77 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 O-C-N 126.343 2.277 . . . . 0.0 110.337 -162.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.38 83.19 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-O 122.751 1.262 . . . . 0.0 109.924 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.9 -25.41 0.35 Allowed Glycine 0 CA--C 1.535 1.286 0 CA-C-N 112.475 -2.148 . . . . 0.0 110.389 -172.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -168.22 99.69 0.44 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.637 -1.282 . . . . 0.0 108.182 172.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -142.06 -32.79 0.5 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.819 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.51 -33.96 4.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.075 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -27.27 68.7 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.719 168.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.21 -56.19 23.49 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.486 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -75.18 -37.84 61.08 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 112.488 -2.142 . . . . 0.0 112.001 -172.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -75.94 -26.87 57.29 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.886 1.366 . . . . 0.0 113.377 -159.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -67.0 -39.45 87.11 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.855 176.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -35.59 81.37 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 112.429 -2.168 . . . . 0.0 110.673 177.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -71.87 -20.69 61.76 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.451 -2.159 . . . . 0.0 112.346 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.2 14.0 13.7 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.179 0.924 . . . . 0.0 110.617 -164.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.43 20.25 76.8 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.712 -175.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 151.74 19.65 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -79.41 104.64 10.16 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.27 123.29 61.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 125.079 1.487 . . . . 0.0 110.356 -172.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.4 t -101.64 115.41 43.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 CA-C-N 111.449 -2.614 . . . . 0.0 107.883 173.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.97 97.96 10.55 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 112.244 -2.253 . . . . 0.0 108.238 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -29.29 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 111.018 -2.81 . . . . 0.0 110.406 175.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.65 177.62 41.94 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.783 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.96 139.05 18.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 113.415 -1.393 . . . . 0.0 111.021 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -160.14 -49.33 0.05 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.53 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t 69.56 87.45 0.12 Allowed 'General case' 0 C--N 1.344 0.364 0 CA-C-N 111.444 -2.617 . . . . 0.0 111.397 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p 179.13 128.83 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 125.376 1.672 . . . . 0.0 110.229 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -47.81 -33.82 7.81 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.236 -2.256 . . . . 0.0 112.028 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.44 -39.45 73.14 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.623 1.202 . . . . 0.0 113.264 -170.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.97 -30.58 19.92 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 124.375 1.047 . . . . 0.0 110.807 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -35.69 58.98 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.728 1.252 . . . . 0.0 112.932 -172.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mt -50.01 -50.19 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 110.931 -2.849 . . . . 0.0 110.91 155.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.88 -28.7 70.02 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 125.127 1.517 . . . . 0.0 113.439 -171.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.97 -28.75 61.63 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.595 0.559 . . . . 0.0 111.257 171.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.36 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 116.797 -1.961 . . . . 0.0 113.228 165.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.79 -40.0 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.897 174.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -77.08 -50.31 13.35 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 113.553 -1.658 . . . . 0.0 111.353 -168.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 12.6 p -100.32 -26.09 14.01 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 125.756 1.91 . . . . 0.0 114.907 -173.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 86.15 74.59 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.222 0 O-C-N 125.583 1.802 . . . . 0.0 109.992 172.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 142.21 55.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 109.758 -3.383 . . . . 0.0 111.866 -176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -90.25 -27.58 19.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 112.598 -2.092 . . . . 0.0 109.533 156.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.29 2.6 pt? -140.47 145.01 36.37 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 122.913 1.339 . . . . 0.0 113.143 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.3 mt -128.93 127.03 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 111.531 -2.577 . . . . 0.0 107.409 175.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -109.49 137.72 46.92 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 112.227 -2.261 . . . . 0.0 108.149 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.65 121.79 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 111.267 -2.697 . . . . 0.0 105.076 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -110.93 114.47 27.83 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.809 -1.996 . . . . 0.0 108.969 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -100.49 109.96 22.11 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 113.372 -1.74 . . . . 0.0 108.615 -158.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.22 -34.24 49.44 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 110.462 -3.063 . . . . 0.0 108.057 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.1 t80 100.13 40.21 0.0 OUTLIER 'General case' 0 C--N 1.352 0.701 0 CA-C-N 110.442 -3.072 . . . . 0.0 110.418 168.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.26 -43.28 32.51 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.441 -2.618 . . . . 0.0 108.742 157.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -155.35 65.62 0.63 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 112.677 -1.761 . . . . 0.0 109.936 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.04 -45.43 8.29 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 116.139 -2.934 . . . . 0.0 109.844 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.11 -37.76 33.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.216 -1.492 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.9 -44.51 51.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 112.818 -1.992 . . . . 0.0 110.599 -166.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -77.43 -56.06 4.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.831 1.332 . . . . 0.0 111.554 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -63.79 -25.76 68.32 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.577 -163.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -59.54 111.82 1.55 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.224 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.77 25.36 69.86 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 113.734 -1.575 . . . . 0.0 113.267 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.47 -25.72 57.62 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.892 0.995 . . . . 0.0 110.814 155.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -42.23 99.34 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 118.234 -1.387 . . . . 0.0 109.524 168.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.346 12.1 tm-20 -77.61 -26.36 50.59 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 177.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -76.28 -29.21 57.32 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 126.145 2.153 . . . . 0.0 112.415 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.12 -34.43 56.67 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.826 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -67.87 -39.27 83.77 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 111.213 -2.721 . . . . 0.0 110.337 170.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -72.52 -29.91 64.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 111.032 -2.804 . . . . 0.0 111.591 -177.565 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 0.98 11.48 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.624 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.03 35.28 44.72 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 67.3 mt -137.2 48.24 2.07 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 111.752 -2.224 . . . . 0.0 107.92 -175.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 114.41 23.82 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.71 171.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.92 -26.11 1.29 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-N 112.12 -2.309 . . . . 0.0 108.161 -168.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.99 124.88 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 111.919 -2.141 . . . . 0.0 109.795 165.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -87.89 139.4 30.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 111.161 -2.745 . . . . 0.0 107.686 160.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.86 141.01 43.15 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 122.986 1.374 . . . . 0.0 111.153 -177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -107.57 142.49 37.41 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 110.127 -3.215 . . . . 0.0 106.572 166.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 123.73 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 112.947 -1.933 . . . . 0.0 106.415 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 151.83 22.42 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.463 -170.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -149.57 18.16 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 112.594 -1.803 . . . . 0.0 109.608 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -88.54 84.19 6.77 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 168.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.92 -30.59 6.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 112.059 -2.337 . . . . 0.0 111.571 -162.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.01 -150.61 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 159.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.51 128.71 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.406 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.25 151.36 7.69 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 113.03 -1.895 . . . . 0.0 112.946 -171.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt 69.33 67.47 0.26 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.166 -2.017 . . . . 0.0 109.669 -169.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -54.94 134.76 48.77 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 111.681 -2.509 . . . . 0.0 110.881 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -125.94 88.43 2.85 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.24 -2.254 . . . . 0.0 107.835 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.26 8.6 m-90 -17.56 -56.79 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 178.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.02 -40.31 67.99 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 115.049 1.134 . . . . 0.0 115.049 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.07 -42.46 23.64 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.506 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.57 -59.21 3.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.087 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.85 -27.86 69.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.54 -1.209 . . . . 0.0 113.099 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -56.72 -39.49 74.01 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 117.665 -1.614 . . . . 0.0 112.339 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -53.32 8.8 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.387 1.054 . . . . 0.0 111.521 -175.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -75.13 -35.57 61.68 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.913 -1.494 . . . . 0.0 112.309 -169.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -75.82 -28.71 58.4 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.968 1.417 . . . . 0.0 111.477 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.29 -29.72 69.01 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 124.138 0.899 . . . . 0.0 111.671 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.4 mmt -69.24 -66.59 0.56 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.657 1.223 . . . . 0.0 109.063 164.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 144.55 44.91 0.04 OUTLIER Glycine 0 C--N 1.351 1.379 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.225 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -81.12 146.15 30.71 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.774 -1.713 . . . . 0.0 108.259 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.27 -45.65 17.55 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.1 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -145.03 146.81 32.04 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.527 1.142 . . . . 0.0 112.0 -163.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.9 t -123.3 113.97 39.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.688 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -87.95 147.2 40.34 Favored Pre-proline 0 C--N 1.36 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.723 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.59 179.19 0.19 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.693 2.262 . . . . 0.0 114.18 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.43 117.68 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 121.369 1.38 . . . . 0.0 109.304 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.81 70.17 1.33 Allowed Glycine 0 C--N 1.35 1.338 0 CA-C-N 113.356 -1.747 . . . . 0.0 110.746 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.48 40.31 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.023 -2.088 . . . . 0.0 109.502 -175.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.563 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.2 p -55.49 155.05 10.81 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 112.722 -2.036 . . . . 0.0 109.778 161.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.13 -11.13 9.95 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 120.566 0.844 . . . . 0.0 113.393 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.93 -29.79 70.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.563 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -71.82 -35.97 70.08 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.312 177.817 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.44 -36.1 39.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 126.024 2.078 . . . . 0.0 108.865 -170.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.8 mt -75.13 -39.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 111.382 -2.644 . . . . 0.0 110.455 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.41 63.97 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.169 1.543 . . . . 0.0 110.956 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -65.14 -52.29 56.04 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.412 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 12.1 ptp -66.88 -28.85 68.66 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.5 -57.0 12.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 114.451 -1.249 . . . . 0.0 109.373 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.15 -49.99 74.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 112.919 -1.946 . . . . 0.0 114.092 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.51 -47.07 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.279 -1.782 . . . . 0.0 112.145 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 63.6 mt -82.45 -4.63 57.78 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.93 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 73.9 0.93 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.66 165.3 14.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.299 -1.951 . . . . 0.0 107.025 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 113.342 -1.754 . . . . 0.0 108.315 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.2 mtp . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -82.54 -53.83 5.65 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.7 165.23 17.6 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.281 -1.782 . . . . 0.0 108.228 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -100.68 109.75 21.81 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 112.635 -2.075 . . . . 0.0 106.396 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.595 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 24.1 m -89.48 137.21 32.52 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 125.497 1.748 . . . . 0.0 107.111 166.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.93 122.81 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 110.232 -3.167 . . . . 0.0 102.665 162.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.6 t -99.8 137.29 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.262 -3.608 . . . . 0.0 102.097 176.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 4.1 pp -132.23 129.29 39.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 116.572 -2.051 . . . . 0.0 107.851 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.59 145.14 15.93 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.503 163.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.72 120.67 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.455 HG23 ' SG ' ' A' ' 71' ' ' CYS . 3.4 tt -96.77 117.76 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 112.527 -2.124 . . . . 0.0 106.342 -169.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.85 -44.16 0.07 OUTLIER Glycine 0 C--N 1.347 1.145 0 CA-C-N 111.825 -2.443 . . . . 0.0 112.428 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.405 ' HB2' ' H ' ' A' ' 41' ' ' SER . 46.8 t 59.48 30.95 20.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.538 -1.331 . . . . 0.0 111.414 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -177.24 128.19 0.15 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.291 -2.232 . . . . 0.0 106.654 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 p 114.62 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.728 2.411 . . . . 0.0 107.477 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -156.67 44.35 0.39 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.785 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.14 63.1 1.29 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.886 -1.961 . . . . 0.0 110.294 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.4 t -82.87 113.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 112.251 -2.25 . . . . 0.0 108.944 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.43 18.15 79.87 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.046 -1.888 . . . . 0.0 112.225 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -131.87 -25.7 2.04 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.626 -1.287 . . . . 0.0 110.361 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -24.09 58.4 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.546 1.154 . . . . 0.0 111.331 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.92 -52.28 51.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 114.308 -1.314 . . . . 0.0 108.367 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.29 -45.86 69.09 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.308 -2.678 . . . . 0.0 112.042 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -55.59 -56.05 24.88 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.285 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -59.13 -31.98 69.44 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.667 -2.06 . . . . 0.0 112.28 -174.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -72.67 -33.21 66.38 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.155 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -76.16 -38.21 56.96 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.671 1.232 . . . . 0.0 110.369 -177.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -34.25 77.91 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.019 -1.901 . . . . 0.0 110.041 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -73.97 -20.57 60.31 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.541 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.43 -0.45 37.22 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.696 0.622 . . . . 0.0 111.079 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.67 20.47 73.98 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.618 -171.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.94 155.54 19.45 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.691 -1.604 . . . . 0.0 106.847 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -77.77 109.25 11.62 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 165.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.0 112.16 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 113.518 -1.674 . . . . 0.0 108.956 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.83 110.57 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 110.747 -2.933 . . . . 0.0 104.903 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 97.77 10.97 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.99 -36.33 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.216 -165.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.99 -176.79 22.21 Favored Glycine 0 C--N 1.355 1.619 0 CA-C-N 114.063 -1.426 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.24 117.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 113.147 -1.526 . . . . 0.0 109.931 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.19 100.48 0.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.111 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.405 ' H ' ' HB2' ' A' ' 13' ' ' SER . 8.8 t -53.79 108.48 0.36 Allowed 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.768 1.292 . . . . 0.0 113.029 -172.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.96 108.23 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 O-C-N 125.475 1.734 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -47.97 -51.61 23.01 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.802 -1.999 . . . . 0.0 111.625 160.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.26 -29.47 61.14 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.97 1.419 . . . . 0.0 112.784 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.18 -42.6 62.55 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.36 -37.36 57.37 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.05 1.405 . . . . 0.0 112.846 -174.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.7 -34.85 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 110.418 -3.083 . . . . 0.0 112.0 161.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.52 -35.17 73.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.909 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 53' ' ' THR . . . -64.07 -28.94 70.13 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 116.084 -1.912 . . . . 0.0 111.534 166.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.747 1.158 . . . . 0.0 113.831 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.2 -37.06 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.014 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -76.56 -50.93 12.67 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.36 -1.745 . . . . 0.0 112.373 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.595 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 1.2 t -83.78 -38.19 21.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.037 -170.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.3 mttp 83.25 84.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.765 0 CA-C-N 111.174 -2.739 . . . . 0.0 109.446 -164.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.43 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -79.92 134.54 36.29 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -90.35 -23.92 20.98 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.917 1.385 . . . . 0.0 110.312 159.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.316 2.7 pt? -140.46 144.97 36.35 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 123.116 1.436 . . . . 0.0 112.832 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.509 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 22.9 mt -128.04 118.68 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 110.592 -3.004 . . . . 0.0 107.111 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.468 ' SG ' ' HB3' ' A' ' 8' ' ' LEU . 25.3 p -115.51 114.9 25.62 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.679 1.237 . . . . 0.0 111.434 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.08 121.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.396 -2.184 . . . . 0.0 106.638 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.4 t -115.27 112.79 22.97 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.968 1.417 . . . . 0.0 109.444 -176.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 152.5 20.4 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.148 -1.842 . . . . 0.0 108.22 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt -134.19 20.39 3.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 125.623 1.827 . . . . 0.0 110.587 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.52 -177.16 5.55 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 122.122 0.963 . . . . 0.0 109.483 -169.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.77 36.12 3.51 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-N 112.291 -2.232 . . . . 0.0 111.187 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -137.37 15.52 2.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.827 -1.187 . . . . 0.0 109.441 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.36 52.97 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 113.417 -1.719 . . . . 0.0 110.62 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.85 -31.04 61.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.171 -2.015 . . . . 0.0 110.089 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mm -91.05 -44.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.861 -167.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -77.64 -56.11 4.79 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.318 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.455 ' SG ' HG23 ' A' ' 11' ' ' ILE . 13.1 m -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.239 1.587 . . . . 0.0 113.073 -158.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -69.4 131.12 44.29 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.282 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.499 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 93.68 18.75 36.89 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 112.707 -2.042 . . . . 0.0 112.338 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -75.54 -25.82 57.49 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.724 0.896 . . . . 0.0 111.196 157.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -58.57 -51.81 68.32 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.288 0.992 . . . . 0.0 109.402 172.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.44 27.5 tt0 -77.56 -26.26 50.72 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 177.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.342 29.4 ttmt -76.14 -29.21 57.72 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 125.175 1.547 . . . . 0.0 113.097 168.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.02 -35.85 56.66 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 122.98 1.371 . . . . 0.0 109.845 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.44 -43.83 98.17 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 110.78 -2.918 . . . . 0.0 110.31 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.306 0.0 OUTLIER -73.06 -30.02 63.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 110.256 -3.156 . . . . 0.0 112.391 -176.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 1.01 11.56 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.701 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.97 35.43 44.59 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 78.9 mt -141.0 54.35 1.57 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 111.597 -2.302 . . . . 0.0 107.761 -172.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 115.22 27.16 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.521 -2.127 . . . . 0.0 108.726 172.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.92 -22.47 2.13 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 111.916 -2.402 . . . . 0.0 108.114 -167.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.16 124.94 24.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 111.956 -2.122 . . . . 0.0 109.359 167.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -88.92 148.86 23.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 111.197 -2.729 . . . . 0.0 108.049 159.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.509 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 57.1 mt -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.733 -170.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -107.73 153.24 23.24 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.182 -2.281 . . . . 0.0 106.887 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.25 123.84 34.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.26 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.72 152.1 18.14 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.248 -168.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 -146.27 18.13 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 113.35 -1.425 . . . . 0.0 112.14 167.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -85.45 75.92 10.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 112.658 -1.771 . . . . 0.0 107.822 169.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -24.92 28.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.359 -2.201 . . . . 0.0 111.39 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t -105.29 169.82 2.25 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 171.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.7 p -65.07 98.94 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 124.84 1.337 . . . . 0.0 111.13 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.49 47.4 83.95 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-N 112.637 -2.074 . . . . 0.0 111.815 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 64.7 168.32 0.18 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 113.335 -1.432 . . . . 0.0 111.501 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -150.78 -125.5 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.214 -1.812 . . . . 0.0 108.442 171.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -143.58 101.23 3.74 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.0 0.812 . . . . 0.0 110.588 -168.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.301 3.0 m-90 -12.49 -56.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 171.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.62 -39.71 87.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 120.562 1.237 . . . . 0.0 114.301 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.01 -38.89 31.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.197 -2.274 . . . . 0.0 111.773 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.08 -44.93 27.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.697 1.248 . . . . 0.0 111.75 -169.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -70.87 -27.97 64.22 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.139 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -61.64 -42.36 98.78 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.632 169.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.96 -51.51 18.12 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.992 -1.458 . . . . 0.0 111.849 -169.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -75.0 -32.45 61.65 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.289 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -78.13 -28.9 48.56 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.622 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.02 67.41 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.681 1.238 . . . . 0.0 110.719 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.499 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -74.55 -43.14 57.15 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.277 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.5 -41.59 0.24 Allowed Glycine 0 C--N 1.355 1.592 0 C-N-CA 119.187 -1.482 . . . . 0.0 112.835 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -49.52 146.44 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 122.387 1.089 . . . . 0.0 113.056 -171.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -79.32 -50.53 10.74 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 112.793 -2.003 . . . . 0.0 109.946 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -145.28 151.11 37.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.355 -164.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.0 t -123.34 122.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.721 1.888 . . . . 0.0 110.324 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -98.66 147.1 32.71 Favored Pre-proline 0 C--N 1.361 1.104 0 O-C-N 124.241 0.963 . . . . 0.0 111.242 165.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -66.04 -176.84 0.67 Allowed 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.302 2.002 . . . . 0.0 113.781 171.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.25 125.33 1.83 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.935 2.423 . . . . 0.0 110.635 164.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.91 48.71 6.41 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 137.66 32.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.881 -2.159 . . . . 0.0 108.804 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.566 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.5 OUTLIER -50.32 147.0 8.08 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.608 158.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.04 -13.81 8.89 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 O-C-N 122.878 0.936 . . . . 0.0 113.346 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.67 -29.67 69.74 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.566 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -66.22 -40.22 90.14 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.872 -1.513 . . . . 0.0 112.489 176.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.9 m -79.43 -34.97 41.19 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 126.077 2.111 . . . . 0.0 109.341 -170.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -41.78 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.919 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.45 -31.73 63.97 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.09 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -64.82 -47.48 77.84 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 116.78 -1.968 . . . . 0.0 112.453 172.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 13.6 ptp -68.42 -28.89 67.48 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.43 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.67 -53.36 55.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.134 0.968 . . . . 0.0 109.722 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.07 -51.71 68.89 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.3 -2.227 . . . . 0.0 113.938 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.95 -39.37 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.257 -174.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.9 mt -86.46 -5.49 59.15 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.442 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.22 72.34 0.99 Allowed Glycine 0 C--N 1.355 1.615 0 O-C-N 124.491 1.119 . . . . 0.0 110.755 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.0 t -138.43 154.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 CA-C-N 112.383 -1.908 . . . . 0.0 107.779 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 111.669 -2.514 . . . . 0.0 109.346 -168.289 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.624 0.726 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.22 -66.93 0.79 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.044 -174.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 165.32 11.28 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.506 -1.679 . . . . 0.0 109.202 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.95 109.78 21.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.814 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -93.28 142.06 27.74 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 111.476 -2.602 . . . . 0.0 106.857 176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG22 ' CB ' ' A' ' 57' ' ' LEU . 1.1 mt -124.92 149.34 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.685 0 CA-C-N 109.851 -3.34 . . . . 0.0 103.557 173.102 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -130.04 125.38 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 CA-C-N 109.097 -3.683 . . . . 0.0 103.068 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.5 129.23 52.8 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 162.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.11 15.93 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.477 -2.147 . . . . 0.0 107.809 166.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.8 t -98.03 120.72 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -96.85 140.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 111.738 -2.483 . . . . 0.0 109.569 -169.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.42 -136.82 13.7 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 110.355 -3.111 . . . . 0.0 108.21 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.6 p -176.8 21.52 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 111.882 -2.159 . . . . 0.0 110.769 -166.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.15 127.85 21.76 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.389 -166.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 t 59.72 27.35 16.6 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.068 -2.333 . . . . 0.0 112.438 176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.4 m80 50.68 -108.69 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 113.416 -1.72 . . . . 0.0 112.333 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.98 51.38 1.61 Allowed 'General case' 0 C--N 1.353 0.743 0 O-C-N 125.088 1.492 . . . . 0.0 110.089 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.27 111.48 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 112.842 -1.981 . . . . 0.0 108.421 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.68 -57.73 0.58 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.825 -1.989 . . . . 0.0 109.039 -173.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -80.22 75.81 7.0 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.24 -1.98 . . . . 0.0 108.991 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -152.2 -51.68 0.11 Allowed 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.922 -1.944 . . . . 0.0 107.994 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -38.58 60.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.191 -2.277 . . . . 0.0 107.287 166.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -97.51 67.79 2.1 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.172 -2.285 . . . . 0.0 108.308 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -157.14 -69.82 0.1 Allowed 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.17 -1.832 . . . . 0.0 109.069 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -67.95 -16.59 64.13 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.98 -177.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -63.18 -46.83 85.27 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.977 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.78 -39.35 66.82 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 125.061 1.476 . . . . 0.0 109.373 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -24.77 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 111.795 -2.457 . . . . 0.0 111.779 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -114.03 25.71 10.92 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.583 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.5 6.04 49.57 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.55 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.89 25.64 74.4 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.767 -1.561 . . . . 0.0 111.308 -172.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.421 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -99.78 161.09 13.82 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.99 107.19 13.59 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 161.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 15.0 t -127.11 139.15 52.71 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 114.219 -1.355 . . . . 0.0 108.027 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.52 110.69 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 111.382 -2.644 . . . . 0.0 106.728 -170.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.93 97.64 10.35 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.55 -1.659 . . . . 0.0 106.847 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.28 -42.15 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 112.769 -2.014 . . . . 0.0 111.413 -175.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.65 129.73 1.15 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 116.117 -2.945 . . . . 0.0 112.412 -171.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.58 142.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.746 -2.227 . . . . 0.0 106.964 165.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.91 56.42 0.22 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 125.338 1.648 . . . . 0.0 107.78 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 m -156.91 -169.76 3.07 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 111.556 -2.566 . . . . 0.0 107.504 -163.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -161.72 170.82 18.95 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 123.102 1.43 . . . . 0.0 111.683 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.25 -28.88 12.86 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 110.972 -2.831 . . . . 0.0 116.852 -169.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.49 -37.16 84.91 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.321 1.013 . . . . 0.0 111.497 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.46 -23.26 30.0 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.104 -1.862 . . . . 0.0 111.448 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -76.45 -32.98 58.75 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-O 123.302 1.525 . . . . 0.0 113.037 179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.411 HG13 ' SG ' ' A' ' 78' ' ' CYS . 1.3 mt -49.69 -48.06 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 109.935 -3.302 . . . . 0.0 109.685 160.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.94 -28.82 67.8 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.026 1.454 . . . . 0.0 112.945 -174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.88 61.59 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.891 0.744 . . . . 0.0 110.983 172.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.46 64.57 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 115.198 -2.601 . . . . 0.0 112.375 168.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.65 -40.4 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.025 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -77.04 -50.49 12.98 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.809 -1.541 . . . . 0.0 112.787 -169.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -99.13 -28.74 13.23 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 125.472 1.732 . . . . 0.0 114.022 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 93.47 63.61 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 O-C-N 126.009 2.068 . . . . 0.0 110.98 170.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 134.19 33.82 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 110.36 -3.109 . . . . 0.0 111.505 -172.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -89.72 -31.8 17.3 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.661 168.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 ' CB ' HG22 ' A' ' 6' ' ' ILE . 3.1 mp -91.73 136.43 33.15 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.457 169.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 HD12 ' SG ' ' A' ' 78' ' ' CYS . 53.5 mt -132.18 124.2 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 110.001 -3.272 . . . . 0.0 108.242 156.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.0 m -115.14 114.76 25.72 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.408 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.92 121.59 53.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 112.367 -2.197 . . . . 0.0 105.687 177.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.16 112.83 23.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.012 -1.904 . . . . 0.0 108.217 -172.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 m -101.38 133.11 46.48 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.901 -165.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.51 56.96 0.11 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.896 171.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -148.13 7.34 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 112.866 -1.97 . . . . 0.0 112.049 170.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.79 -0.47 89.5 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 115.158 -0.928 . . . . 0.0 114.571 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -136.57 34.39 2.71 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 122.3 1.048 . . . . 0.0 110.111 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.05 -28.17 50.62 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.389 173.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.5 -27.97 69.52 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 112.608 -1.796 . . . . 0.0 112.005 170.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 -44.49 16.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.525 -173.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.45 -56.32 4.64 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.99 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 m -59.33 -25.97 64.64 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.466 -165.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -59.22 111.73 1.46 Allowed 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.656 1.222 . . . . 0.0 111.931 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.37 33.11 32.68 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 112.143 -2.299 . . . . 0.0 111.289 179.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 tp -75.78 -32.38 59.89 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 125.482 1.342 . . . . 0.0 112.914 164.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -47.78 83.41 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.106 174.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.465 15.7 tt0 -77.44 -26.3 51.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 175.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.309 62.1 tttp -75.99 -29.07 58.07 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 125.011 1.444 . . . . 0.0 113.064 169.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 58' ' ' ILE . 87.5 m -77.32 -41.75 39.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 125.095 1.497 . . . . 0.0 110.751 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -57.64 -45.91 84.85 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 110.115 -3.22 . . . . 0.0 108.463 171.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.295 35.9 mt-10 -73.05 -29.59 63.08 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 110.343 -3.117 . . . . 0.0 112.548 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.68 4.5 4.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.566 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.13 35.14 15.8 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.299 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -100.24 -116.63 0.16 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.795 -1.702 . . . . 0.0 107.361 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.462 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.262 6.8 mptt -108.94 -157.28 0.61 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-O 122.97 1.367 . . . . 0.0 110.67 -175.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.04 53.21 1.06 Allowed Glycine 0 N--CA 1.437 -1.297 1 N-CA-C 102.107 -4.397 . . . . 0.0 102.107 152.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.462 ' H ' ' C ' ' A' ' 84' ' ' LYS 0.308 3.7 tt -63.65 124.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 109.749 -3.225 . . . . 0.0 110.71 -166.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -88.01 117.02 26.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 109.857 -3.338 . . . . 0.0 108.385 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.5 143.33 44.7 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 111.796 -2.456 . . . . 0.0 108.205 -173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -107.9 143.03 37.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 110.602 -2.999 . . . . 0.0 105.602 169.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.12 123.59 34.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.66 152.02 23.53 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 118.277 -1.916 . . . . 0.0 113.219 -164.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.08 90.7 0.23 Allowed Glycine 0 C--N 1.353 1.481 0 CA-C-N 110.972 -2.614 . . . . 0.0 112.38 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 52.52 70.51 0.56 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 125.376 1.28 . . . . 0.0 111.748 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -103.33 -45.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.015 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.32 12.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.927 1.392 . . . . 0.0 113.325 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 p -38.24 124.97 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 111.801 -2.454 . . . . 0.0 111.879 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.63 106.25 1.66 Allowed Glycine 0 C--N 1.35 1.311 0 CA-C-N 112.597 -2.092 . . . . 0.0 109.919 -174.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 66.3 34.82 6.21 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.624 -1.788 . . . . 0.0 112.497 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -172.67 149.48 2.05 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.332 172.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -149.08 138.51 21.67 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.396 -1.729 . . . . 0.0 109.205 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.509 1.5 m-90 10.81 -66.7 0.0 OUTLIER Pre-proline 0 C--N 1.347 0.495 0 N-CA-C 121.109 3.744 . . . . 0.0 121.109 166.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.55 -31.67 32.26 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 CA-C-N 120.955 1.377 . . . . 0.0 115.514 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -80.06 -45.51 18.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 112.779 -2.01 . . . . 0.0 111.575 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.53 -55.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 124.775 1.297 . . . . 0.0 110.829 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.28 -45.59 72.52 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.666 1.229 . . . . 0.0 112.53 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -55.54 -49.4 72.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 119.054 -1.058 . . . . 0.0 112.391 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -78.06 -53.0 7.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 113.268 -1.787 . . . . 0.0 112.09 -168.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.84 -46.01 86.99 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.238 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -72.23 -33.43 67.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 113.816 -1.538 . . . . 0.0 112.066 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.79 92.89 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.689 1.243 . . . . 0.0 112.273 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.6 -1.62 58.08 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.725 -174.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.13 -75.8 0.08 OUTLIER Glycine 0 C--N 1.354 1.533 0 C-N-CA 118.458 -1.83 . . . . 0.0 111.724 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -48.85 146.12 3.43 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 123.023 1.392 . . . . 0.0 113.735 -163.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -59.09 2.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 111.553 -2.567 . . . . 0.0 109.316 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -145.12 154.89 42.94 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.838 -1.528 . . . . 0.0 109.742 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.29 136.93 58.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.452 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.34 116.77 66.79 Favored Pre-proline 0 C--N 1.358 0.951 0 O-C-N 124.429 1.081 . . . . 0.0 111.688 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.18 127.69 26.7 Favored 'Trans proline' 0 C--N 1.373 1.854 0 O-C-N 123.165 1.087 . . . . 0.0 112.399 164.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.3 112.87 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 121.13 1.22 . . . . 0.0 111.372 -170.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.47 -6.14 3.56 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-N 111.947 -2.388 . . . . 0.0 111.709 -169.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 m -76.03 137.02 39.95 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 121.879 0.847 . . . . 0.0 109.537 -179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.6 ' HG ' ' H ' ' A' ' 125' ' ' THR . 6.2 p -69.55 162.56 66.18 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 112.397 -2.183 . . . . 0.0 109.345 171.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -80.81 -9.94 13.06 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 120.708 0.939 . . . . 0.0 113.985 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -29.85 69.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 124.015 0.822 . . . . 0.0 110.399 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.6 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.6 OUTLIER -72.56 -34.65 67.65 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 113.682 -1.599 . . . . 0.0 112.601 175.61 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.4 m -79.7 -33.21 41.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 126.678 2.486 . . . . 0.0 109.023 -172.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.15 -37.69 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 112.138 -2.301 . . . . 0.0 109.785 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.85 64.37 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.947 -1.478 . . . . 0.0 110.925 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -61.6 -55.27 32.54 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.505 174.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 6' ' ' ILE . 20.2 ptp -63.7 -39.77 95.14 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.311 1.007 . . . . 0.0 111.493 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.88 -55.34 23.46 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.471 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.04 -34.26 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.27 -1.332 . . . . 0.0 114.137 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.63 -39.17 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.421 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.5 mt -91.5 7.88 39.13 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 124.07 0.856 . . . . 0.0 111.866 -169.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 82.43 52.41 3.98 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.285 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.57 165.11 10.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 112.203 -1.998 . . . . 0.0 106.259 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 CA--C 1.548 0.902 0 O-C-N 124.596 1.185 . . . . 0.0 111.271 174.22 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.752 0.787 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.85 -20.41 0.65 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.472 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 165.33 22.23 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.057 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.07 116.66 32.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.044 -1.889 . . . . 0.0 107.952 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -90.94 134.93 34.08 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 112.592 -2.095 . . . . 0.0 106.853 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 149.47 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 C-N-CA 130.318 3.447 . . . . 0.0 103.828 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.272 1.6 t -124.67 143.07 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 CA-C-N 108.723 -3.853 . . . . 0.0 104.144 -175.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.1 pp -132.23 128.78 38.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 115.136 -2.625 . . . . 0.0 110.187 156.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.94 143.3 14.8 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 111.493 -2.594 . . . . 0.0 108.228 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.68 121.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 117.257 -1.777 . . . . 0.0 106.568 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -105.54 127.52 60.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.766 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.35 64.33 2.66 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 112.632 -2.076 . . . . 0.0 109.199 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.3 p -151.73 -108.2 0.05 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 111.23 -2.485 . . . . 0.0 109.715 -167.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.3 t70 69.24 50.77 0.54 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 113.703 -1.589 . . . . 0.0 110.872 177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 p -167.61 -63.1 0.03 OUTLIER 'General case' 0 C--N 1.351 0.634 0 CA-C-N 113.384 -1.734 . . . . 0.0 109.636 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -162.91 125.5 2.7 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.363 -1.744 . . . . 0.0 107.702 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.63 86.81 7.27 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.24 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.67 113.97 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 113.272 -1.785 . . . . 0.0 109.577 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 -63.43 0.36 Allowed Glycine 0 C--N 1.348 1.242 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.193 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.49 54.01 2.61 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.996 -1.602 . . . . 0.0 110.153 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -77.31 -63.15 1.44 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.145 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -155.75 78.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.587 0 CA-C-N 111.998 -2.364 . . . . 0.0 109.179 -175.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.16 40.73 1.15 Allowed 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.593 -2.094 . . . . 0.0 110.387 169.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.27 53.06 2.38 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 112.755 -2.021 . . . . 0.0 108.65 168.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -144.44 33.2 1.18 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.694 -2.503 . . . . 0.0 106.94 168.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -157.37 18.37 0.28 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.832 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.19 -44.51 1.59 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.751 -1.568 . . . . 0.0 106.965 154.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -32.54 74.07 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.017 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -76.65 11.0 1.83 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.419 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 -0.46 50.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.152 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.32 30.01 67.64 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.059 -168.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.45 153.37 18.52 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 118.721 -1.192 . . . . 0.0 107.836 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.77 104.71 9.57 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 165.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.8 t -120.09 129.22 75.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.49 -174.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.85 110.99 29.02 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.586 -165.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -86.01 117.37 24.81 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.831 -1.986 . . . . 0.0 108.648 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.8 mm -81.82 -37.54 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 111.25 -2.704 . . . . 0.0 110.092 -172.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.82 -171.54 15.1 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.072 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -109.11 132.07 58.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 112.696 -1.752 . . . . 0.0 109.009 -178.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -163.97 -132.12 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.386 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -179.5 76.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 160.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -167.66 104.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.834 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.4 -28.95 70.14 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 112.021 -2.354 . . . . 0.0 114.636 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.47 -16.94 64.15 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 125.081 1.488 . . . . 0.0 111.962 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -83.66 -37.5 22.72 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . 0.255 0.0 OUTLIER -76.07 -27.65 57.32 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 118.472 -1.291 . . . . 0.0 113.306 -178.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -55.31 -41.12 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-N 111.045 -2.798 . . . . 0.0 112.391 158.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -69.4 -28.96 66.62 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.083 0.864 . . . . 0.0 110.869 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.65 -28.83 62.97 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.008 167.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.38 -30.37 68.35 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 115.833 -2.347 . . . . 0.0 113.792 168.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.18 -42.57 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.931 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -77.05 -50.39 13.2 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.885 -168.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.8 p -93.74 -27.05 16.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.092 -171.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.6 mttt 100.01 44.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 126.544 2.402 . . . . 0.0 110.056 167.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.0 122.93 18.17 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.525 -2.58 . . . . 0.0 110.562 -174.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.75 -22.66 34.3 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 126.333 2.271 . . . . 0.0 109.033 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 2.4 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 123.367 1.556 . . . . 0.0 112.925 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.507 HD12 ' SG ' ' A' ' 78' ' ' CYS . 33.4 mt -123.64 112.39 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 110.283 -3.144 . . . . 0.0 108.127 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 53.0 t -115.1 114.51 25.43 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 125.227 1.579 . . . . 0.0 109.814 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.18 148.17 7.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.2 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.87 112.72 25.81 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.737 -2.029 . . . . 0.0 106.754 164.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.6 p -100.98 122.11 42.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.634 -2.075 . . . . 0.0 107.47 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -86.42 -28.28 23.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.95 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 t80 86.79 153.63 0.07 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 112.455 -2.157 . . . . 0.0 108.553 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.91 -44.76 1.27 Allowed Glycine 0 C--N 1.34 0.801 0 N-CA-C 105.437 -3.065 . . . . 0.0 105.437 -151.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -157.75 54.18 0.47 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 112.424 -1.888 . . . . 0.0 109.407 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.06 -45.56 8.2 Favored Glycine 0 C--N 1.36 1.878 0 C-N-CA 115.818 -3.086 . . . . 0.0 110.437 -177.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -80.22 -31.79 38.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.904 -1.648 . . . . 0.0 111.402 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.172 -166.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -77.08 -53.19 8.09 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.675 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 97.4 m -55.27 -25.85 36.42 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.962 1.414 . . . . 0.0 114.68 -168.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.56 111.68 1.69 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 123.917 0.761 . . . . 0.0 109.544 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.55 27.41 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 113.221 -1.808 . . . . 0.0 112.0 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -33.67 60.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.625 0.838 . . . . 0.0 110.894 158.074 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -60.48 -39.67 88.49 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 124.694 1.246 . . . . 0.0 109.918 167.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.277 22.6 mt-10 -77.63 -26.57 50.62 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 14.1 mptt -76.37 -29.4 57.15 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 125.651 1.844 . . . . 0.0 112.729 166.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.507 ' SG ' HD12 ' A' ' 58' ' ' ILE . 94.8 m -77.05 -37.05 55.47 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 125.418 1.699 . . . . 0.0 110.923 173.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.77 -42.5 86.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 110.393 -3.094 . . . . 0.0 109.338 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.313 24.4 mm-40 -73.26 -29.79 63.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 109.787 -3.369 . . . . 0.0 113.046 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.5 23.78 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.385 -1.734 . . . . 0.0 112.878 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 39.13 34.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -141.37 33.23 1.68 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 111.623 -2.288 . . . . 0.0 109.987 -170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -75.6 115.09 14.91 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.145 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.14 -29.74 0.98 Allowed Glycine 0 C--N 1.345 1.08 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.802 -172.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.9 124.94 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 111.746 -2.227 . . . . 0.0 110.814 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.85 138.53 31.37 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 109.23 -3.623 . . . . 0.0 107.598 171.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 HD22 ' HB ' ' A' ' 58' ' ' ILE . 22.0 mt -123.09 133.38 54.3 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.55 -166.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -107.69 137.44 45.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 109.786 -3.37 . . . . 0.0 107.659 173.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.19 123.96 34.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.867 -1.969 . . . . 0.0 107.505 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.2 150.79 20.09 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 119.415 -1.374 . . . . 0.0 113.703 -164.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.66 -130.51 9.84 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-N 110.661 -2.77 . . . . 0.0 110.913 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -87.48 79.82 8.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.249 -1.476 . . . . 0.0 109.846 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.9 pt -79.48 -35.26 16.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.138 -2.301 . . . . 0.0 110.939 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.3 t -141.1 163.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -111.73 40.83 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.23 -171.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 78.97 12.58 83.99 Favored Glycine 0 CA--C 1.539 1.541 0 CA-C-N 113.112 -1.858 . . . . 0.0 113.498 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -73.44 83.14 1.46 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.991 0.9 . . . . 0.0 108.665 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 67.16 174.21 0.26 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 112.419 -2.173 . . . . 0.0 110.27 -167.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -142.83 142.06 31.75 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.798 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.581 1.4 m-90 35.69 -74.65 0.0 OUTLIER Pre-proline 0 C--N 1.353 0.747 0 C-N-CA 130.742 3.617 . . . . 0.0 119.787 167.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.55 -37.68 34.36 Favored 'Trans proline' 0 CA--C 1.554 1.491 0 CA-C-N 120.973 1.383 . . . . 0.0 114.85 168.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.26 -45.33 18.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.833 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.8 t -75.14 -36.01 36.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 124.563 1.164 . . . . 0.0 111.283 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.12 -34.26 63.84 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.169 173.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.37 -37.87 79.02 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.504 -1.279 . . . . 0.0 111.324 171.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -73.27 -53.03 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.984 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.09 -43.83 50.76 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.458 -169.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -71.25 -28.69 64.35 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.199 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.91 71.95 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.423 1.077 . . . . 0.0 112.515 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.7 mmt -66.72 -41.08 88.52 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.939 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.88 -14.98 0.34 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.141 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -50.98 129.73 24.2 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 122.512 1.149 . . . . 0.0 112.73 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -42.46 78.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 111.576 -2.556 . . . . 0.0 110.526 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -145.25 136.7 25.17 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.008 -1.905 . . . . 0.0 108.658 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.31 113.63 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.886 1.366 . . . . 0.0 109.812 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.56 133.57 23.49 Favored Pre-proline 0 N--CA 1.481 1.118 0 O-C-N 124.546 1.154 . . . . 0.0 112.382 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.76 177.63 2.2 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 121.471 1.447 . . . . 0.0 114.905 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.55 121.06 9.26 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.108 1.872 . . . . 0.0 113.915 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.11 4.81 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.449 -1.705 . . . . 0.0 112.575 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -102.13 137.1 40.85 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.91 -1.645 . . . . 0.0 108.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.417 ' HG ' ' H ' ' A' ' 125' ' ' THR . 5.8 p -63.19 134.88 95.98 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-N 113.734 -1.575 . . . . 0.0 109.485 179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.27 9.9 Cg_endo -69.92 -9.16 25.38 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 121.33 1.353 . . . . 0.0 115.369 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.77 -29.65 70.84 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.314 164.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.417 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -65.11 -31.64 72.94 Favored 'General case' 0 CA--C 1.501 -0.935 0 O-C-N 123.96 0.788 . . . . 0.0 112.255 169.448 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.2 m -79.35 -30.93 42.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 126.242 2.214 . . . . 0.0 108.792 -173.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.42 -38.55 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 O-C-N 125.877 1.986 . . . . 0.0 110.109 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.85 66.61 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.462 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -65.14 -55.36 19.16 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 115.931 -2.308 . . . . 0.0 113.205 172.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -73.61 -28.95 62.08 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 112.204 -170.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -68.36 -57.23 6.22 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.993 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -66.07 -37.18 85.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.131 -1.395 . . . . 0.0 114.017 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.92 -39.07 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 114.425 -1.261 . . . . 0.0 112.442 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.3 mt -86.62 5.73 34.4 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.153 0.908 . . . . 0.0 112.356 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.65 61.39 2.94 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 122.113 0.84 . . . . 0.0 111.299 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -151.79 160.95 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 112.097 -2.051 . . . . 0.0 106.9 -173.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 CA--C 1.541 0.616 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.077 176.393 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 122.152 0.977 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.56 173.28 12.53 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.582 -2.099 . . . . 0.0 109.766 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -105.55 165.15 11.35 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 112.888 -1.96 . . . . 0.0 111.407 -173.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.41 110.62 21.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 109.413 -3.54 . . . . 0.0 109.002 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 m -82.14 115.95 21.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.678 -2.055 . . . . 0.0 107.805 170.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.78 137.32 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 104.416 -2.439 . . . . 0.0 104.416 161.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.29 1.3 t -130.13 116.76 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.941 1 CA-C-N 108.112 -4.131 . . . . 0.0 102.98 -168.023 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -130.98 129.38 42.02 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 117.19 -1.804 . . . . 0.0 109.313 -175.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.65 145.52 16.05 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 126.574 2.421 . . . . 0.0 108.466 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.69 125.41 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -96.5 117.88 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 112.652 -2.067 . . . . 0.0 106.213 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.21 108.5 0.36 Allowed Glycine 0 C--N 1.347 1.166 0 CA-C-N 110.027 -3.261 . . . . 0.0 109.561 -173.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -84.18 74.35 10.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 111.807 -2.196 . . . . 0.0 108.827 -175.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.84 40.55 28.9 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 111.988 -2.369 . . . . 0.0 111.301 -168.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.0 m -101.8 -23.49 14.19 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.178 -1.828 . . . . 0.0 111.792 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 71.23 130.97 0.03 OUTLIER 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.801 1.313 . . . . 0.0 111.228 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.7 90.81 1.08 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.733 -2.03 . . . . 0.0 111.876 -176.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -104.23 122.77 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 111.89 -2.414 . . . . 0.0 107.542 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.85 -100.81 1.08 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.084 -173.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -70.53 101.9 2.11 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 113.62 -1.29 . . . . 0.0 109.894 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -168.63 -55.89 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 CA-C-N 112.311 -2.222 . . . . 0.0 106.873 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.9 mm -107.55 46.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 111.977 -2.374 . . . . 0.0 108.052 175.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -130.48 -6.49 4.19 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.366 -2.197 . . . . 0.0 110.805 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.48 60.34 3.07 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.246 1.498 . . . . 0.0 108.873 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -147.63 -46.85 0.17 Allowed 'General case' 0 C--N 1.345 0.376 0 CA-C-N 110.218 -3.174 . . . . 0.0 106.413 -174.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -87.04 62.72 7.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.579 167.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -175.97 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.439 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -44.93 94.09 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 112.576 -2.102 . . . . 0.0 110.32 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -89.37 25.12 2.01 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 112.467 -2.152 . . . . 0.0 111.33 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 7.72 45.8 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.289 167.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.04 25.36 64.39 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-N 113.837 -1.529 . . . . 0.0 111.609 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.01 149.76 27.21 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -77.93 104.63 8.6 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 163.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -121.58 134.49 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 112.606 -2.088 . . . . 0.0 107.187 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.81 135.69 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 111.151 -2.749 . . . . 0.0 106.304 -171.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -104.12 106.34 16.81 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.072 -1.876 . . . . 0.0 106.783 171.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -23.73 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.953 175.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.06 179.35 21.98 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.336 173.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -92.5 117.93 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 111.612 -2.294 . . . . 0.0 108.482 -174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.39 139.52 3.96 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 112.934 -1.939 . . . . 0.0 106.587 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.31 73.52 5.93 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.186 171.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -170.38 121.74 0.63 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 118.053 -1.459 . . . . 0.0 114.182 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -47.89 -55.14 10.53 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 114.909 164.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -64.71 -18.16 64.76 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.763 -172.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.42 -37.63 36.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.799 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -37.72 57.12 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.328 1.537 . . . . 0.0 112.218 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.67 -37.05 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.497 -3.501 . . . . 0.0 111.955 160.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -66.7 -28.81 68.74 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.344 1.028 . . . . 0.0 112.223 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.26 61.3 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 167.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -30.32 69.94 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 116.695 -2.002 . . . . 0.0 113.744 161.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -68.42 -42.6 84.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.04 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 -50.24 13.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 124.322 1.014 . . . . 0.0 109.986 -171.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -13.4 18.6 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 126.299 2.249 . . . . 0.0 114.045 -167.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 75.95 72.63 0.08 Allowed 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.955 1.409 . . . . 0.0 110.186 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 144.48 55.11 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 110.973 -2.83 . . . . 0.0 112.297 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.3 -33.0 16.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.264 152.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.3 2.7 pt? -140.53 144.95 36.23 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.037 1.398 . . . . 0.0 113.739 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.414 ' HB ' HD21 ' A' ' 88' ' ' LEU . 49.0 mt -122.9 110.93 27.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.926 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.1 t -115.31 114.71 25.53 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.284 -173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 m -97.86 148.26 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.599 -175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.31 112.85 24.39 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.561 -2.108 . . . . 0.0 108.348 176.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 m -100.88 119.13 38.23 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.521 -175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.7 mt -84.52 -43.24 14.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 112.004 -2.362 . . . . 0.0 108.564 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . 0.259 6.0 t80 116.25 49.84 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.251 165.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.62 -39.23 6.32 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 111.761 -2.472 . . . . 0.0 108.663 156.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -149.6 70.64 1.07 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 112.387 -1.906 . . . . 0.0 108.011 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.35 -45.24 8.19 Favored Glycine 0 C--N 1.355 1.637 0 C-N-CA 116.532 -2.746 . . . . 0.0 111.181 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -79.79 -29.57 40.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 111.083 -2.558 . . . . 0.0 111.414 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.08 -40.46 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 113.438 -1.71 . . . . 0.0 109.807 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.6 -52.33 65.63 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.34 178.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.548 ' SG ' ' CE2' ' A' ' 108' ' ' PHE . 26.0 p -71.33 -35.49 71.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.855 -170.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.418 ' HZ1' ' HG3' ' A' ' 111' ' ' MET . 28.0 mmmt -69.26 111.92 5.5 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.085 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.55 14.5 75.88 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 112.544 -2.116 . . . . 0.0 113.424 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -75.78 -30.0 58.95 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 159.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 117.659 -1.616 . . . . 0.0 109.52 172.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.366 32.2 tt0 -77.69 -26.67 50.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 118.461 2.763 . . . . 0.0 118.461 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 60.8 mtpt -76.58 -29.57 56.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.981 1.426 . . . . 0.0 112.818 165.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.415 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 27.1 t -77.61 -29.18 51.76 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 125.253 1.596 . . . . 0.0 112.23 173.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.32 -45.29 63.35 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.688 -2.96 . . . . 0.0 109.215 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.308 24.8 mm-40 -73.11 -29.65 63.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 109.297 -3.592 . . . . 0.0 112.39 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 0.82 12.01 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.801 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.2 33.51 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.3 mt -138.56 32.14 2.29 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 112.038 -2.081 . . . . 0.0 109.631 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 113.06 11.59 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.598 174.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.94 -29.52 0.6 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.783 -2.462 . . . . 0.0 107.979 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.7 mp -64.89 127.15 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 111.7 -2.25 . . . . 0.0 110.172 167.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.97 137.39 32.37 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 110.121 -3.218 . . . . 0.0 108.495 160.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.414 HD21 ' HB ' ' A' ' 58' ' ' ILE . 17.8 mt -109.94 136.67 48.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.063 1.411 . . . . 0.0 111.087 -176.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.75 148.32 29.62 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 110.754 -2.93 . . . . 0.0 107.839 167.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -136.08 127.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 112.81 -1.995 . . . . 0.0 107.852 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.01 144.1 13.78 Favored Glycine 0 C--N 1.353 1.486 0 C-N-CA 119.359 -1.401 . . . . 0.0 112.562 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.59 -142.52 17.3 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 112.201 -1.999 . . . . 0.0 110.728 172.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.75 81.3 5.8 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.832 -1.684 . . . . 0.0 107.571 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.03 -24.59 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-N 112.747 -2.024 . . . . 0.0 110.732 -166.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.43 ' CG1' ' H ' ' A' ' 96' ' ' VAL . 93.1 t -139.7 173.81 10.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 167.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' H ' ' CG1' ' A' ' 95' ' ' VAL . 3.4 t -54.91 152.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 112.013 -2.358 . . . . 0.0 108.913 171.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.51 -42.76 58.07 Favored Glycine 0 CA--C 1.543 1.83 0 CA-C-N 112.641 -2.072 . . . . 0.0 111.791 169.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.81 136.53 58.02 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.72 -1.74 . . . . 0.0 109.145 165.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 68.55 73.79 0.28 Allowed 'General case' 0 C--N 1.352 0.694 0 O-C-N 125.039 1.462 . . . . 0.0 107.692 -159.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.13 67.66 6.97 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 112.274 -2.239 . . . . 0.0 108.989 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.347 1.7 m-90 78.37 10.77 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 119.68 3.215 . . . . 0.0 119.68 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.08 -51.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.104 0 CA-C-N 122.123 1.794 . . . . 0.0 111.273 164.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.32 -29.98 38.1 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.07 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.91 -46.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 124.575 1.172 . . . . 0.0 110.514 -170.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -68.63 -40.67 80.19 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.117 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -59.77 -46.2 89.92 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.597 1.185 . . . . 0.0 111.598 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -76.95 -53.02 8.38 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.634 -1.621 . . . . 0.0 110.576 -170.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.548 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 12.6 m-30 -70.4 -41.4 73.05 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.448 -1.705 . . . . 0.0 111.562 -168.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -77.19 -38.29 51.82 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.665 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.19 69.76 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.365 1.041 . . . . 0.0 112.115 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.418 ' HG3' ' HZ1' ' A' ' 72' ' ' LYS . 77.2 mmm -71.0 -54.57 10.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.607 173.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.15 17.95 0.02 OUTLIER Glycine 0 C--N 1.356 1.644 0 C-N-CA 117.559 -2.258 . . . . 0.0 115.166 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 145.55 30.95 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 122.801 1.286 . . . . 0.0 108.867 169.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -78.29 -57.6 3.7 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 111.583 -2.553 . . . . 0.0 109.446 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.26 152.89 40.66 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 125.092 1.495 . . . . 0.0 110.743 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.8 t -123.29 120.2 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 111.974 -2.375 . . . . 0.0 110.398 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -95.6 116.96 66.68 Favored Pre-proline 0 C--N 1.358 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 110.547 170.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -57.29 169.46 2.15 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 120.92 1.08 . . . . 0.0 114.865 167.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -74.37 118.2 5.27 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 120.889 1.059 . . . . 0.0 110.551 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.98 11.51 10.95 Favored Glycine 0 CA--C 1.536 1.362 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.7 m -81.86 137.11 35.3 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 122.42 1.105 . . . . 0.0 109.432 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.646 ' HG ' ' H ' ' A' ' 125' ' ' THR . 3.2 p -59.93 164.99 5.15 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 111.598 -2.546 . . . . 0.0 109.987 171.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.13 -10.91 10.03 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 121.317 1.344 . . . . 0.0 113.279 170.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.13 -29.84 60.64 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.268 0.98 . . . . 0.0 110.953 -174.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.646 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -68.56 -35.91 78.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.645 173.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 m -79.45 -31.34 42.49 Favored 'General case' 0 N--CA 1.44 -0.969 0 O-C-N 126.708 2.505 . . . . 0.0 109.004 -171.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.91 -41.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 126.549 2.405 . . . . 0.0 110.318 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.512 -1.676 . . . . 0.0 110.314 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -65.93 -49.06 69.31 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 112.232 -2.258 . . . . 0.0 112.677 171.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.6 ptp -69.19 -28.96 66.86 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 118.993 -1.083 . . . . 0.0 111.808 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.94 -57.24 5.26 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 118.295 -1.362 . . . . 0.0 110.08 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.464 ' CG ' ' H ' ' A' ' 133' ' ' VAL . 12.1 pt-20 -52.3 -51.36 59.03 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.004 1.44 . . . . 0.0 113.213 -176.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.464 ' H ' ' CG ' ' A' ' 132' ' ' GLU . 39.6 t -56.78 -47.24 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 110.618 -2.992 . . . . 0.0 112.39 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.3 mt -93.8 13.11 23.47 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.195 0.934 . . . . 0.0 112.19 -170.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 57.17 4.45 Favored Glycine 0 C--N 1.354 1.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.131 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.49 2.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 112.591 -1.805 . . . . 0.0 113.311 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.549 0.908 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.589 -179.375 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 122.039 0.924 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -178.49 5.04 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.446 -2.161 . . . . 0.0 110.52 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -105.58 165.01 11.46 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.351 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.71 109.91 21.8 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 109.445 -3.525 . . . . 0.0 107.582 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.4 ' HB ' ' HA ' ' A' ' 55' ' ' ALA . 23.5 m -94.85 119.05 32.78 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 110.907 -2.861 . . . . 0.0 106.943 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.34 144.9 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 C-N-CA 129.117 2.967 . . . . 0.0 104.623 169.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.267 2.0 t -130.05 130.88 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 108.871 -3.786 . . . . 0.0 104.54 -171.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -132.39 129.4 39.31 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.418 -1.313 . . . . 0.0 109.174 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.09 145.19 15.82 Favored Glycine 0 C--N 1.358 1.802 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.461 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.57 120.93 50.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -96.45 117.73 41.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.089 -157.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.82 41.65 83.96 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-N 111.842 -2.435 . . . . 0.0 112.393 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -93.67 -71.15 0.67 Allowed 'General case' 0 C--N 1.351 0.637 0 CA-C-N 112.561 -1.82 . . . . 0.0 111.222 -166.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.25 -161.32 0.14 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 112.127 -2.306 . . . . 0.0 107.5 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.43 -34.43 23.48 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.673 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -78.88 145.85 33.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.514 -1.676 . . . . 0.0 109.381 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.87 54.17 2.76 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.979 -1.918 . . . . 0.0 111.081 -173.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.85 128.37 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.131 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.44 32.48 27.9 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 112.83 -1.987 . . . . 0.0 111.907 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -169.95 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.98 1.047 . . . . 0.0 111.504 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -66.88 133.4 49.96 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.625 -171.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.292 0.6 OUTLIER 89.75 -35.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.843 -2.435 . . . . 0.0 110.098 -174.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -9.97 59.04 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.514 -158.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.408 ' CB ' HD22 ' A' ' 36' ' ' ASN . 38.2 t70 -88.63 73.39 8.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 123.101 1.429 . . . . 0.0 108.719 172.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.7 20.06 0.46 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 110.934 -2.848 . . . . 0.0 109.165 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.2 p -137.1 -50.22 0.64 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.895 -168.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -68.78 -47.76 65.39 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.302 -2.226 . . . . 0.0 108.79 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -43.64 98.46 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.005 -1.907 . . . . 0.0 110.126 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 24.37 0.92 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.123 -2.308 . . . . 0.0 112.271 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 5.16 28.93 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.571 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.72 26.78 70.58 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.538 -173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -98.46 153.34 18.67 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -78.0 104.82 8.81 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 45.6 t -123.14 123.21 67.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.094 -1.866 . . . . 0.0 108.203 -175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.93 114.77 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 111.027 -2.806 . . . . 0.0 107.226 -173.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.408 HD22 ' CB ' ' A' ' 24' ' ' ASP . 34.8 m-20 -85.8 105.04 16.03 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 112.824 -1.989 . . . . 0.0 107.327 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -35.33 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 CA-C-N 112.881 -1.963 . . . . 0.0 108.067 168.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.67 -150.04 44.21 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 111.921 -2.4 . . . . 0.0 111.942 163.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.21 170.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 110.94 -2.63 . . . . 0.0 109.633 -169.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt 74.11 40.19 0.46 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.998 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.89 166.59 1.23 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.322 -169.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -144.2 -167.81 2.71 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.437 -2.165 . . . . 0.0 108.368 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.06 65.71 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -165.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.31 -35.11 80.0 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 125.282 1.614 . . . . 0.0 111.465 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.0 -16.82 29.04 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.749 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -76.63 -37.17 56.79 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.671 1.701 . . . . 0.0 111.927 174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.84 -41.56 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 109.382 -3.554 . . . . 0.0 111.275 158.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -67.53 -28.76 68.08 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.246 0.966 . . . . 0.0 112.58 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.87 63.15 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.87 0.732 . . . . 0.0 110.496 168.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.44 67.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 115.745 -2.382 . . . . 0.0 113.369 167.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.43 -37.63 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.09 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -76.94 -50.45 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.2 -1.364 . . . . 0.0 112.176 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 19.6 p -98.89 -27.6 13.83 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 125.604 1.815 . . . . 0.0 114.53 -172.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 90.76 63.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 125.735 1.897 . . . . 0.0 109.82 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 86' ' ' ILE . . . -89.05 122.39 32.34 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 110.969 -2.832 . . . . 0.0 110.68 -172.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . 24.0 m-20 -87.1 -14.85 40.22 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 126.181 2.176 . . . . 0.0 109.417 177.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -135.47 144.39 46.38 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 124.397 2.046 . . . . 0.0 111.636 163.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.505 HD11 ' SG ' ' A' ' 78' ' ' CYS . 24.1 mt -131.71 125.62 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 108.664 -3.88 . . . . 0.0 107.853 -176.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -115.02 141.2 48.32 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 111.146 -2.752 . . . . 0.0 109.545 -176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.48 140.36 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 111.952 -2.385 . . . . 0.0 106.743 163.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.43 112.87 22.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 170.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.484 ' HG ' ' H ' ' A' ' 64' ' ' TYR . 9.7 t -133.48 164.12 27.85 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 123.554 1.645 . . . . 0.0 111.86 -158.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.17 -28.05 6.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 109.419 -3.537 . . . . 0.0 111.854 -166.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' H ' ' HG ' ' A' ' 62' ' ' SER . 5.5 t80 78.95 38.88 0.13 Allowed 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.334 1.646 . . . . 0.0 109.643 -160.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.47 -49.97 40.99 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 110.683 -2.962 . . . . 0.0 107.841 151.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -159.0 69.57 0.47 Allowed 'General case' 0 C--N 1.359 1.014 0 CA-C-N 112.962 -1.619 . . . . 0.0 107.62 174.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.13 -45.57 8.14 Favored Glycine 0 C--N 1.354 1.543 0 C-N-CA 116.921 -2.561 . . . . 0.0 111.355 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.12 -27.83 39.08 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.11 -1.045 . . . . 0.0 111.869 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.8 mm -83.92 -44.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.895 -1.502 . . . . 0.0 111.248 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -77.23 -39.61 47.87 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.434 1.084 . . . . 0.0 111.767 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.462 ' SG ' ' SD ' ' A' ' 111' ' ' MET . 23.0 p -59.68 -25.77 65.02 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.677 1.235 . . . . 0.0 113.95 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.35 111.74 2.13 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.363 -168.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.79 46.4 17.98 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 112.612 -2.086 . . . . 0.0 111.64 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 HD21 ' SG ' ' A' ' 78' ' ' CYS . 0.7 OUTLIER -75.84 -32.33 59.74 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.822 0.954 . . . . 0.0 112.935 169.153 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.81 -43.41 88.74 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.266 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.509 0.5 OUTLIER -77.32 -26.26 51.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 N-CA-C 118.548 2.796 . . . . 0.0 118.548 176.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.373 46.6 tttp -76.02 -28.89 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.787 1.93 . . . . 0.0 112.683 167.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.505 ' SG ' HD11 ' A' ' 58' ' ' ILE . 98.7 m -69.96 -47.38 62.53 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 123.854 1.788 . . . . 0.0 110.136 170.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.4 -38.64 77.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 108.417 -3.992 . . . . 0.0 110.426 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.319 0.1 OUTLIER -73.25 -35.16 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 110.768 -2.924 . . . . 0.0 112.444 179.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.18 3.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 111.93 -2.396 . . . . 0.0 112.741 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.44 16.41 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.057 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.56 -167.32 1.73 Allowed 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.087 -2.057 . . . . 0.0 106.265 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.28 25.5 mmmt -69.69 -172.82 0.53 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 112.459 -2.155 . . . . 0.0 113.393 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.81 48.25 2.03 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 103.187 -3.965 . . . . 0.0 103.187 159.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.533 ' H ' ' C ' ' A' ' 84' ' ' LYS 0.252 0.2 OUTLIER -63.75 136.53 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.98 0 CA-C-N 108.687 -3.756 . . . . 0.0 107.134 -165.922 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -87.72 123.97 33.1 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 109.387 -3.552 . . . . 0.0 109.333 -159.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.0 mt -117.26 140.11 49.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.377 -159.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -107.77 141.35 39.46 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 110.014 -3.266 . . . . 0.0 107.143 173.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 123.88 34.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.547 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.09 21.1 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-N 113.747 -1.57 . . . . 0.0 112.29 -167.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.48 -149.45 19.25 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 111.634 -2.283 . . . . 0.0 110.411 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.02 115.95 22.07 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 112.514 -1.843 . . . . 0.0 107.487 172.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.6 pt -137.05 -22.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 CA-C-N 113.457 -1.701 . . . . 0.0 111.691 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.21 149.87 17.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 123.035 1.398 . . . . 0.0 108.261 167.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.9 t -156.43 103.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 CA-C-N 110.035 -3.257 . . . . 0.0 106.313 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.23 62.29 0.03 OUTLIER Glycine 0 C--N 1.349 1.257 0 C-N-CA 118.066 -2.016 . . . . 0.0 111.243 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 50.73 50.86 18.13 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.459 -1.371 . . . . 0.0 111.46 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -161.79 104.09 1.19 Allowed 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 111.802 -2.454 . . . . 0.0 107.334 -168.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -135.75 132.73 37.18 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 112.834 -1.985 . . . . 0.0 108.457 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.601 2.8 m-90 39.95 -78.99 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.685 0 C-N-CA 129.771 3.228 . . . . 0.0 118.515 171.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.99 -38.97 32.46 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 CA-C-N 120.663 1.273 . . . . 0.0 114.758 167.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.21 -44.54 19.57 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 112.926 -1.943 . . . . 0.0 111.983 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.01 -59.12 4.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 124.378 1.049 . . . . 0.0 110.138 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.6 -27.97 69.57 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 125.121 1.513 . . . . 0.0 113.093 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.49 -50.05 74.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.479 171.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -68.19 -45.79 72.43 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 112.997 -1.91 . . . . 0.0 111.864 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -75.15 -28.88 60.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.735 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -68.59 -32.34 72.17 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.762 172.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.94 64.53 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.212 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.462 ' SD ' ' SG ' ' A' ' 71' ' ' CYS . 58.9 mtt -70.77 -31.88 68.81 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.203 0.939 . . . . 0.0 110.777 173.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.88 23.77 6.04 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.457 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -81.17 115.83 20.78 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 163.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.274 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -145.06 135.55 24.27 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 109.583 -171.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.27 113.91 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.478 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -89.48 117.01 67.79 Favored Pre-proline 0 C--N 1.357 0.902 0 O-C-N 124.698 1.249 . . . . 0.0 109.768 170.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.88 171.82 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 120.698 0.932 . . . . 0.0 114.507 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -74.57 117.75 5.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 120.731 0.954 . . . . 0.0 110.43 175.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.63 3.09 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.926 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -98.11 137.17 37.28 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.764 -1.218 . . . . 0.0 108.462 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.592 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.3 p -60.1 161.13 13.6 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 112.363 -2.199 . . . . 0.0 109.84 171.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.06 -13.75 8.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 122.876 0.935 . . . . 0.0 113.981 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -29.83 69.03 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.213 0.946 . . . . 0.0 110.287 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.592 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.6 OUTLIER -67.29 -37.72 83.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 113.168 -1.833 . . . . 0.0 112.038 175.357 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.6 m -79.54 -34.46 41.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.445 2.341 . . . . 0.0 109.495 -169.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -75.1 -41.62 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.368 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.9 63.89 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.859 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -62.19 -55.1 31.91 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 112.142 -2.299 . . . . 0.0 112.628 169.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -67.61 -28.75 68.01 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 119.42 -0.912 . . . . 0.0 112.646 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.42 -57.08 10.28 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.78 -49.61 75.68 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.645 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.76 -47.06 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.221 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.9 -1.29 57.89 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 124.583 1.177 . . . . 0.0 111.768 -171.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.53 73.7 1.04 Allowed Glycine 0 C--N 1.354 1.544 0 O-C-N 124.271 0.982 . . . . 0.0 110.845 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.8 t -145.27 165.98 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 CA-C-N 112.423 -1.888 . . . . 0.0 106.919 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 113.517 -1.674 . . . . 0.0 110.269 179.564 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.505 0.669 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 68.15 106.21 0.05 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 112.79 -2.004 . . . . 0.0 110.934 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.715 ' HZ2' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -105.9 165.91 10.86 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.043 -1.89 . . . . 0.0 110.097 179.473 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -117.15 114.51 23.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 110.034 -3.257 . . . . 0.0 109.045 -170.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.715 ' HG1' ' HZ2' ' A' ' 3' ' ' LYS . 8.6 m -84.01 138.58 33.02 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 111.306 -2.679 . . . . 0.0 107.729 172.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.51 149.19 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.047 0 C-N-CA 128.092 2.557 . . . . 0.0 105.777 169.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -124.49 133.67 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.126 1 CA-C-N 107.56 -4.382 . . . . 0.0 103.538 -172.938 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.42 129.08 38.84 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.933 163.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.91 146.29 16.26 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 111.244 -2.707 . . . . 0.0 108.444 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.08 120.6 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 165.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 tt -99.22 133.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 O-C-N 125.925 2.016 . . . . 0.0 108.46 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.99 -114.61 0.9 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 112.571 -2.104 . . . . 0.0 111.529 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -154.96 -153.24 0.44 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 112.116 -2.042 . . . . 0.0 110.285 -154.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 66.7 170.13 0.24 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.436 168.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -74.46 -17.84 60.72 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.46 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.35 148.52 51.57 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.791 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 75.41 102.48 0.07 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.631 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -133.85 108.78 12.16 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 CA-C-N 111.589 -2.55 . . . . 0.0 106.993 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.69 -57.53 2.24 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.622 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -174.38 -10.96 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.237 -1.482 . . . . 0.0 112.601 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt 96.32 -98.19 0.0 OUTLIER 'General case' 0 C--N 1.356 0.869 0 O-C-N 125.201 1.563 . . . . 0.0 107.854 -165.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.53 -28.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.093 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.282 0.0 OUTLIER -75.44 -3.87 36.32 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.632 -1.622 . . . . 0.0 114.427 -155.206 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.07 -48.76 80.22 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.18 0.925 . . . . 0.0 111.201 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -80.49 77.57 7.27 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 126.528 2.393 . . . . 0.0 112.218 -159.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t 178.44 -32.61 0.01 OUTLIER 'General case' 0 C--N 1.345 0.382 0 CA-C-N 110.987 -2.824 . . . . 0.0 108.191 163.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.8 -45.35 86.66 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.821 1.326 . . . . 0.0 109.07 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -44.89 96.31 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.213 -2.267 . . . . 0.0 109.576 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -89.87 37.86 0.9 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.119 -2.31 . . . . 0.0 111.53 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 20.07 3.3 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.014 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.42 29.64 75.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 113.346 -1.752 . . . . 0.0 112.679 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.28 152.22 20.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 t -125.81 134.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 O-C-N 125.27 1.606 . . . . 0.0 108.686 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.5 t -133.03 119.2 35.78 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 111.787 -2.461 . . . . 0.0 108.219 -162.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -85.94 109.98 19.13 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.686 1.241 . . . . 0.0 108.084 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 pp -92.31 -42.02 13.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 112.823 -1.989 . . . . 0.0 111.524 -164.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.16 121.73 0.58 Allowed Glycine 0 C--N 1.35 1.35 0 C-N-CA 118.117 -1.992 . . . . 0.0 111.108 -171.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.75 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-N 112.095 -2.052 . . . . 0.0 108.291 167.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.3 -119.87 1.01 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 112.251 -2.249 . . . . 0.0 108.608 -162.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p 58.16 -158.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.177 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -162.25 -166.3 1.37 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.42 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -50.25 -35.85 28.72 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.864 1.977 . . . . 0.0 114.478 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.98 -21.73 66.89 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 117.978 -1.489 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -81.08 -42.28 21.25 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 124.743 1.277 . . . . 0.0 111.875 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -75.96 -31.05 58.86 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.0 0.905 . . . . 0.0 111.941 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.09 -32.92 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 111.465 -2.607 . . . . 0.0 110.512 168.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.04 -41.09 97.52 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.086 -1.445 . . . . 0.0 109.882 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.82 61.45 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 124.646 1.216 . . . . 0.0 111.336 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.35 56.28 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 116.489 -2.085 . . . . 0.0 112.889 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.83 -39.38 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.68 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.23 -50.46 14.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.434 -1.257 . . . . 0.0 113.147 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.6 p -97.65 -28.98 13.67 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 125.28 1.612 . . . . 0.0 113.926 -171.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 99.33 55.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 126.234 2.209 . . . . 0.0 110.792 168.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.78 16.64 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 111.723 -2.489 . . . . 0.0 111.505 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.42 -27.29 24.26 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.165 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.2 144.85 36.79 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.296 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.458 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 92.8 mt -129.8 125.26 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 111.167 -2.742 . . . . 0.0 106.699 -175.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -114.97 114.77 25.87 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.82 -170.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 HG23 ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -107.85 121.82 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 111.692 -2.504 . . . . 0.0 108.322 -177.065 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.83 121.65 45.17 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.572 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -100.77 121.03 40.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 113.474 -1.694 . . . . 0.0 108.535 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.44 -26.13 60.81 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.07 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 104.0 24.34 0.0 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 125.954 2.034 . . . . 0.0 111.097 171.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.06 -46.78 6.88 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.793 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -153.53 68.2 0.78 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 111.781 -2.21 . . . . 0.0 107.84 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.0 -45.22 8.45 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 118.373 -1.87 . . . . 0.0 111.495 -172.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.42 -32.63 54.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.486 -0.857 . . . . 0.0 111.907 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.37 -44.45 35.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.179 -165.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -77.47 -42.67 34.97 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.59 -1.641 . . . . 0.0 112.138 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.441 ' SG ' HG23 ' A' ' 60' ' ' VAL . 26.3 t -78.04 -41.37 35.83 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.453 1.095 . . . . 0.0 112.944 -163.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -69.06 133.85 48.63 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.426 1.079 . . . . 0.0 111.371 -170.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.84 25.92 63.67 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 112.309 -2.223 . . . . 0.0 111.935 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 tp -75.64 -26.1 57.44 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.941 1.024 . . . . 0.0 112.115 158.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' H ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.04 -36.07 66.86 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 124.672 1.233 . . . . 0.0 108.64 173.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.292 25.7 mt-10 -77.6 -26.59 50.79 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.311 15.3 tptm -76.45 -29.4 56.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 125.606 1.816 . . . . 0.0 112.692 167.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.1 m -77.13 -40.38 45.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 125.45 1.719 . . . . 0.0 110.318 172.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.37 -42.34 95.61 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 110.902 -2.863 . . . . 0.0 109.898 173.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.302 25.0 mm-40 -73.23 -29.78 63.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 109.702 -3.408 . . . . 0.0 112.726 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 -2.02 21.99 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.258 -1.792 . . . . 0.0 113.199 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.93 42.09 17.14 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 mt -145.37 59.77 1.28 Allowed 'General case' 0 C--N 1.346 0.432 0 CA-C-N 111.336 -2.432 . . . . 0.0 107.574 -175.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.15 116.74 29.12 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.699 -2.046 . . . . 0.0 108.242 172.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.9 -24.2 2.27 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-N 112.32 -2.218 . . . . 0.0 108.037 -164.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.82 124.64 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 111.702 -2.249 . . . . 0.0 108.115 166.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -109.12 132.62 53.94 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 110.774 -2.921 . . . . 0.0 107.484 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.458 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 7.4 mt -109.79 133.8 52.74 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.141 1.448 . . . . 0.0 110.626 -170.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -107.63 136.81 46.76 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.849 -3.342 . . . . 0.0 106.478 166.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.03 123.8 35.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.011 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.47 152.24 19.98 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.077 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.6 -140.68 16.4 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 112.824 -1.688 . . . . 0.0 110.897 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.65 82.29 2.0 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.005 -2.098 . . . . 0.0 107.963 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.8 pt -97.08 -41.5 11.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.729 -162.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -145.02 15.22 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-O 122.75 1.262 . . . . 0.0 111.907 162.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.8 115.74 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 112.814 -1.994 . . . . 0.0 113.173 -170.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.99 -54.46 0.57 Allowed Glycine 0 C--N 1.347 1.181 0 CA-C-N 114.453 -1.248 . . . . 0.0 110.709 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 20.88 3.54 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.842 -1.179 . . . . 0.0 112.299 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 160.16 127.64 0.0 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 128.239 2.616 . . . . 0.0 104.938 -173.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -134.99 122.01 21.26 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.245 0.966 . . . . 0.0 110.387 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.593 1.8 m-90 38.3 -74.32 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.793 0 C-N-CA 130.601 3.56 . . . . 0.0 119.406 162.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.04 -38.46 31.9 Favored 'Trans proline' 0 CA--C 1.556 1.578 0 CA-C-N 120.93 1.368 . . . . 0.0 114.472 166.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -80.11 -49.52 11.61 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.886 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.2 -48.1 87.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 124.332 1.02 . . . . 0.0 111.047 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.01 -35.51 78.42 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.006 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.47 -39.86 89.14 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.714 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -72.69 -53.09 12.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.451 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.81 -51.27 42.65 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.769 -1.559 . . . . 0.0 110.32 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -66.11 -39.58 90.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.545 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.42 75.09 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.418 1.074 . . . . 0.0 111.987 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.5 mmt -79.35 -20.02 48.84 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.121 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.03 -35.02 0.24 Allowed Glycine 0 C--N 1.358 1.798 0 C-N-CA 117.163 -2.446 . . . . 0.0 114.834 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -60.0 144.14 50.03 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.288 1.042 . . . . 0.0 111.255 -174.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.75 -56.23 5.25 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.617 -2.083 . . . . 0.0 109.454 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -145.2 150.96 37.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.441 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.26 132.7 70.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 113.294 -1.776 . . . . 0.0 108.89 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -92.92 116.75 66.99 Favored Pre-proline 0 C--N 1.356 0.881 0 O-C-N 124.618 1.199 . . . . 0.0 110.851 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.92 132.56 52.74 Favored 'Trans proline' 0 C--N 1.37 1.686 0 O-C-N 123.172 1.09 . . . . 0.0 112.098 159.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -65.08 111.38 1.74 Allowed 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 120.779 0.986 . . . . 0.0 110.971 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.22 -0.27 3.53 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 112.359 -2.201 . . . . 0.0 112.32 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 m -74.39 137.14 42.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 122.282 1.039 . . . . 0.0 109.788 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.555 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.6 p -57.26 165.94 1.79 Allowed Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 111.833 -2.439 . . . . 0.0 110.054 168.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 -14.86 8.25 Favored 'Trans proline' 0 C--N 1.354 0.82 0 O-C-N 122.642 0.812 . . . . 0.0 113.874 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.28 -29.66 65.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.47 1.106 . . . . 0.0 111.269 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.555 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -70.75 -31.87 68.82 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.229 -1.805 . . . . 0.0 112.127 175.366 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -79.4 -32.67 43.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.948 2.03 . . . . 0.0 109.189 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.9 mt -75.1 -40.07 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.257 178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.01 63.87 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.955 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -63.41 -55.23 25.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 116.719 -1.992 . . . . 0.0 112.333 170.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 21.7 ptp -67.43 -29.01 68.38 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.872 0.733 . . . . 0.0 112.304 -171.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -71.87 -57.1 4.61 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.772 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -60.26 -30.94 69.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.15 -1.387 . . . . 0.0 113.993 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.94 -46.85 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.865 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 74.9 mt -95.88 21.63 8.35 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.494 1.121 . . . . 0.0 112.345 -170.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.68 59.84 4.6 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.082 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.72 155.12 8.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.479 -1.86 . . . . 0.0 107.177 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 113.344 -1.753 . . . . 0.0 109.177 -179.854 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 ttp . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.583 0.706 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -169.89 -47.6 0.02 OUTLIER 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.531 -172.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.74 165.16 11.37 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.372 -2.195 . . . . 0.0 111.143 -176.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -112.23 109.57 19.32 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 109.393 -3.548 . . . . 0.0 105.323 157.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 53' ' ' THR . 14.0 m -98.25 137.98 36.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.207 -2.27 . . . . 0.0 107.924 -178.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.02 122.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 111.903 -2.408 . . . . 0.0 105.308 171.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.299 0.9 OUTLIER -107.9 116.76 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 109.546 -3.479 . . . . 0.0 104.265 -167.177 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.55 128.7 46.07 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 117.173 -1.811 . . . . 0.0 110.723 179.573 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.32 145.87 16.02 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 110.526 -3.034 . . . . 0.0 110.14 173.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.45 120.26 46.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 116.522 -2.071 . . . . 0.0 106.687 163.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.521 HG21 ' SG ' ' A' ' 71' ' ' CYS . 5.7 tt -97.52 132.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 111.383 -2.644 . . . . 0.0 109.557 -167.261 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.31 43.59 97.18 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.387 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.9 p -58.77 -50.1 75.18 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 113.313 -1.443 . . . . 0.0 111.841 -166.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 54.05 31.49 13.8 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 111.692 -2.504 . . . . 0.0 111.922 174.047 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -173.98 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 112.788 -2.006 . . . . 0.0 110.338 -168.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 75.27 118.63 0.05 Allowed 'General case' 0 C--N 1.355 0.841 0 O-C-N 125.358 1.661 . . . . 0.0 112.017 171.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 66.76 16.55 10.41 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 111.666 -2.515 . . . . 0.0 112.793 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.13 -37.11 45.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.647 177.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.61 132.62 10.85 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 111.727 -2.488 . . . . 0.0 108.243 174.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 61.53 92.92 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 113.089 -1.556 . . . . 0.0 111.644 173.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -131.99 -49.67 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.821 -2.445 . . . . 0.0 107.147 172.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.32 -28.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-N 111.955 -2.384 . . . . 0.0 109.228 172.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.1 mt -80.4 9.78 5.45 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.041 -1.436 . . . . 0.0 112.769 -170.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.85 -46.18 9.14 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 162.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -74.79 141.03 44.39 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.658 -2.064 . . . . 0.0 110.518 -174.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.2 t 89.72 -21.08 0.13 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 111.431 -2.622 . . . . 0.0 111.352 -171.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -87.55 -47.05 9.03 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -44.63 96.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.873 171.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -95.38 50.8 1.26 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.647 178.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -138.4 16.4 2.76 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.109 -1.859 . . . . 0.0 108.798 160.124 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.53 89.81 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 113.69 -1.596 . . . . 0.0 112.062 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 151.5 21.45 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 173.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -77.9 114.06 16.4 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 171.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.2 t -127.08 108.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 O-C-N 124.888 1.368 . . . . 0.0 108.666 -174.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.19 137.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 110.996 -2.82 . . . . 0.0 107.707 176.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.28 124.48 44.41 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 113.122 -1.853 . . . . 0.0 107.993 172.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.9 mt -68.93 -42.12 82.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 112.742 -2.027 . . . . 0.0 109.827 177.219 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.81 -157.93 19.95 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.265 -175.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -109.15 156.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 111.868 -2.166 . . . . 0.0 108.946 -175.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 41' ' ' SER . 2.4 tp 65.52 -137.4 0.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.896 177.418 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.497 ' HG ' ' H ' ' A' ' 42' ' ' SER . 40.5 t 55.81 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.354 0.761 0 C-N-CA 125.36 1.464 . . . . 0.0 112.154 -175.341 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' H ' ' HG ' ' A' ' 41' ' ' SER . 3.8 p -119.67 -159.91 0.8 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 111.967 -2.379 . . . . 0.0 106.84 166.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -48.19 -28.53 3.05 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 112.651 -2.068 . . . . 0.0 113.709 174.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' H ' ' HG ' ' A' ' 42' ' ' SER . 14.3 tp10 -60.74 -39.27 88.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.0 -21.34 24.88 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 118.019 -1.473 . . . . 0.0 111.252 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -34.23 59.21 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 123.213 1.482 . . . . 0.0 112.703 -179.198 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.6 -49.27 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 109.823 -3.353 . . . . 0.0 110.146 156.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.07 -28.89 67.76 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.128 1.518 . . . . 0.0 113.381 -167.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 53' ' ' THR . . . -73.86 -28.54 61.63 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 117.409 -1.282 . . . . 0.0 111.291 169.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.46 -30.38 59.94 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 118.738 -1.185 . . . . 0.0 113.376 172.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.2 -37.55 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.604 170.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.4 -50.73 29.04 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.474 -170.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.47 ' CG2' HG21 ' A' ' 5' ' ' THR . 1.6 t -91.81 -41.11 10.84 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.014 -171.174 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? 85.77 79.81 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.296 -2.683 . . . . 0.0 109.68 -162.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.42 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -64.94 136.07 56.4 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 112.036 -2.347 . . . . 0.0 109.933 178.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -90.28 -32.24 16.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.433 1.083 . . . . 0.0 109.885 164.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -140.23 145.01 36.82 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.384 175.557 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 30.5 mt -121.86 131.76 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 111.65 -2.523 . . . . 0.0 106.867 -179.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -115.33 138.48 50.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 110.811 -2.904 . . . . 0.0 108.472 -173.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 136.11 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 111.411 -2.631 . . . . 0.0 108.11 -178.139 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.08 112.7 23.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 125.26 1.6 . . . . 0.0 108.452 178.497 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.536 ' HG ' ' HG ' ' A' ' 71' ' ' CYS . 47.7 m -104.03 163.78 12.15 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.603 -175.673 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.8 mt -129.5 -17.81 3.65 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.451 -178.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 t80 79.23 137.13 0.06 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.822 1.326 . . . . 0.0 109.415 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.92 -41.77 2.02 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 111.74 -2.482 . . . . 0.0 107.956 -165.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -146.32 23.92 1.29 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 112.953 -1.623 . . . . 0.0 109.149 174.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.57 -45.4 23.17 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 118.192 -1.956 . . . . 0.0 111.264 -173.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.47 -28.45 37.58 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.589 -1.305 . . . . 0.0 112.823 174.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.0 mt -68.37 -44.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.634 -172.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.38 -52.89 8.39 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.055 -1.884 . . . . 0.0 111.799 175.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.536 ' HG ' ' HG ' ' A' ' 62' ' ' SER . 91.2 m -62.9 -51.14 68.11 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.555 -169.097 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -69.83 113.45 7.08 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.093 1.496 . . . . 0.0 110.788 -170.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.02 16.23 21.85 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 112.618 -2.083 . . . . 0.0 112.348 -176.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.6 tp -75.59 -25.81 57.33 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.742 0.817 . . . . 0.0 111.667 156.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 HH21 ' HB3' ' A' ' 111' ' ' MET . 66.4 ttp85 -59.16 -54.5 46.2 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.234 170.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.436 24.5 tt0 -77.54 -25.95 50.57 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 118.198 2.666 . . . . 0.0 118.198 -179.112 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.35 27.2 tttp -76.13 -29.11 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 125.142 1.526 . . . . 0.0 112.012 167.877 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.4 p -77.03 -41.45 42.56 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 117.662 -1.615 . . . . 0.0 110.146 174.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.74 -38.37 90.25 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 110.181 -3.19 . . . . 0.0 110.568 176.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.292 27.2 mm-40 -73.42 -30.76 63.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 110.949 -2.841 . . . . 0.0 112.826 175.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.34 0.05 15.6 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.429 -1.714 . . . . 0.0 113.058 178.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 44.04 9.04 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-O 122.269 0.927 . . . . 0.0 110.811 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 39.0 mt -138.61 63.02 1.53 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 111.867 -2.166 . . . . 0.0 107.142 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 116.81 29.25 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 111.956 -2.384 . . . . 0.0 108.303 172.285 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.07 -24.15 2.08 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 112.366 -2.197 . . . . 0.0 108.378 -171.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.63 124.47 20.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.102 167.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -109.42 130.29 55.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 109.749 -3.387 . . . . 0.0 106.539 169.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.41 132.61 53.96 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 123.439 1.59 . . . . 0.0 111.478 -165.309 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -109.61 129.81 55.56 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 108.976 -3.738 . . . . 0.0 106.821 166.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.87 123.78 57.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 113.756 -1.566 . . . . 0.0 108.715 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.26 22.33 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.82 -166.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.35 -149.16 17.02 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 111.86 -2.17 . . . . 0.0 108.455 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -91.51 82.95 5.33 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.907 -1.647 . . . . 0.0 106.962 168.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.3 pt -79.57 -37.06 18.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.091 -169.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.9 t -137.93 1.04 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 113.045 -1.889 . . . . 0.0 111.757 166.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.7 119.49 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 112.101 -2.318 . . . . 0.0 110.951 -162.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.55 -38.73 0.08 OUTLIER Glycine 0 C--N 1.347 1.189 0 CA-C-N 112.306 -2.224 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -163.58 35.78 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 112.926 -1.637 . . . . 0.0 109.435 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -145.26 166.57 25.12 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.885 -178.189 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -154.86 140.89 18.36 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.644 -1.616 . . . . 0.0 110.918 -174.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.423 1.4 m-90 -4.01 -57.66 0.0 OUTLIER Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 130.099 3.36 . . . . 0.0 120.032 170.906 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -47.9 -52.07 8.81 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 CA-C-N 121.123 1.437 . . . . 0.0 114.319 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -73.14 -47.62 42.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.923 179.466 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 ' HA ' HH21 ' A' ' 107' ' ' ARG . 93.8 t -66.32 -51.6 56.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.168 -170.453 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.44 -40.28 64.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 113.419 -1.719 . . . . 0.0 110.677 -170.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.44 -29.96 71.16 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.934 1.397 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.413 HH21 ' HA ' ' A' ' 104' ' ' VAL . 14.4 ttp180 -69.56 -49.83 50.6 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.258 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.74 -33.44 73.91 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.884 -1.507 . . . . 0.0 112.142 -177.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -77.78 -28.94 50.62 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.865 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.03 -27.93 69.14 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.172 175.114 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.411 ' HB3' HH21 ' A' ' 75' ' ' ARG . 19.5 mmt -70.74 -64.16 0.95 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.775 166.671 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.52 2.38 0.1 OUTLIER Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.716 177.002 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -59.9 115.97 3.78 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.12 70.43 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.916 -161.1 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -136.66 147.97 47.14 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 123.227 1.489 . . . . 0.0 110.253 176.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.05 113.83 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 110.332 -3.122 . . . . 0.0 108.513 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.16 118.43 55.97 Favored Pre-proline 0 C--N 1.352 0.685 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.703 -170.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.87 167.56 2.23 Favored 'Trans proline' 0 C--N 1.369 1.637 0 N-CA-C 115.806 1.425 . . . . 0.0 115.806 169.172 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.02 -1.51 6.3 Favored 'Trans proline' 0 C--N 1.371 1.711 0 N-CA-C 118.293 2.382 . . . . 0.0 118.293 -172.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.62 69.54 0.3 Allowed Glycine 0 C--N 1.347 1.176 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -176.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.36 40.4 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 112.039 -2.081 . . . . 0.0 108.713 176.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.551 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.9 OUTLIER -52.76 159.79 1.65 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 113.052 -1.885 . . . . 0.0 110.233 165.361 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.99 -18.39 6.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 123.01 1.005 . . . . 0.0 113.059 174.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -73.13 -29.73 63.1 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.177 -169.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.551 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -71.59 -31.81 67.36 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.194 175.928 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.4 m -79.23 -37.06 38.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 126.176 2.172 . . . . 0.0 108.296 -172.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.1 -37.17 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 110.695 -2.957 . . . . 0.0 109.823 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.02 63.97 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.667 173.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -62.56 -55.33 28.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 115.871 -2.332 . . . . 0.0 112.25 170.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 18.4 ptp -67.37 -28.93 68.35 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.868 0.73 . . . . 0.0 111.779 -172.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -68.86 -54.81 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.2 176.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.98 -51.39 69.86 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.798 -1.092 . . . . 0.0 113.781 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.01 -46.99 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.705 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.44 -1.71 42.69 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.714 -175.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.84 63.31 1.91 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.841 167.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.7 p -161.1 149.97 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 111.674 -2.263 . . . . 0.0 109.753 -172.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.548 0.873 0 CA-C-N 109.216 -3.629 . . . . 0.0 110.983 -172.597 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.474 0.654 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.26 -30.88 58.01 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.466 -1.697 . . . . 0.0 109.736 170.195 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.32 165.27 25.53 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.8 169.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -102.16 109.83 21.64 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.517 -1.674 . . . . 0.0 107.302 162.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.4 m -83.47 125.06 31.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.121 -1.854 . . . . 0.0 107.133 170.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 146.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 111.488 -2.596 . . . . 0.0 104.798 156.75 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.269 1.2 t -130.16 125.75 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-N 109.043 -3.708 . . . . 0.0 103.42 -166.921 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.57 129.12 38.59 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 116.996 -1.882 . . . . 0.0 109.993 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.98 146.15 16.2 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 111.418 -2.628 . . . . 0.0 110.051 170.839 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -97.43 120.61 46.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.77 117.96 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 111.786 -2.461 . . . . 0.0 109.781 -168.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.29 -4.96 0.17 Allowed Glycine 0 CA--C 1.539 1.557 0 CA-C-N 111.2 -2.727 . . . . 0.0 113.687 171.458 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 m 57.66 106.9 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.792 0.837 . . . . 0.0 109.895 -166.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -162.46 156.88 21.64 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.297 -173.117 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.84 -32.02 45.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.02 -1.9 . . . . 0.0 110.446 176.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -81.63 131.9 35.28 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.111 176.431 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.82 54.6 0.93 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.608 -2.087 . . . . 0.0 109.11 176.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.97 111.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 113.263 -1.79 . . . . 0.0 109.797 177.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.51 34.71 6.21 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.633 -174.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 178.68 35.03 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 112.411 -1.895 . . . . 0.0 107.942 -170.522 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -175.23 -51.52 0.01 OUTLIER 'General case' 0 C--N 1.348 0.514 0 CA-C-N 112.516 -2.129 . . . . 0.0 107.032 -168.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -51.72 12.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 111.877 -2.419 . . . . 0.0 106.508 174.457 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -106.65 70.06 0.8 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 113.278 -1.783 . . . . 0.0 109.817 172.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -147.99 66.12 1.1 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 111.217 -2.72 . . . . 0.0 106.461 147.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -150.96 -40.59 0.12 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 111.379 -2.646 . . . . 0.0 108.447 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -67.21 -46.38 74.04 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.997 174.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -70.88 -42.76 69.59 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.675 -2.057 . . . . 0.0 110.476 -176.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -42.79 99.64 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.705 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -90.72 19.45 5.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 112.923 -1.944 . . . . 0.0 111.682 178.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.67 2.64 56.61 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.084 166.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 24.44 73.55 Favored Glycine 0 C--N 1.356 1.67 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.181 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.35 152.98 18.37 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 118.454 -1.298 . . . . 0.0 108.349 -177.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -77.96 104.93 8.83 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 165.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.97 108.86 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.564 -172.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.46 118.87 53.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.147 -176.3 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -85.85 108.88 18.34 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.889 -1.959 . . . . 0.0 108.179 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.82 -25.71 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 112.394 -2.185 . . . . 0.0 110.77 -174.9 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 176.12 22.78 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.235 175.55 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -87.26 117.93 32.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 112.361 -1.92 . . . . 0.0 109.505 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -164.09 139.5 6.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.008 173.461 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.763 ' HG ' ' HH ' ' A' ' 64' ' ' TYR . 5.1 t -85.06 90.84 7.95 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.615 163.334 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.15 127.77 0.1 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.5 1.143 . . . . 0.0 112.439 173.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -47.93 -55.23 10.41 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 112.184 -2.28 . . . . 0.0 112.506 169.348 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.8 -19.96 64.55 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.421 1.075 . . . . 0.0 113.334 -164.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -77.12 -44.9 28.73 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.33 1.019 . . . . 0.0 111.261 175.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -34.89 59.19 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 122.797 1.284 . . . . 0.0 113.436 -175.401 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.61 -45.27 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 110.329 -3.123 . . . . 0.0 110.619 161.096 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.04 -28.76 66.84 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.89 1.369 . . . . 0.0 112.08 -171.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -28.33 62.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.199 0.937 . . . . 0.0 112.413 171.133 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.01 -30.3 62.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 117.921 -1.512 . . . . 0.0 113.768 166.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.05 -43.04 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.657 173.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.15 -50.65 12.52 Favored 'General case' 0 CA--C 1.493 -1.224 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.315 -168.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.26 0.0 OUTLIER -105.17 -9.84 17.49 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 110.522 -3.035 . . . . 0.0 113.617 -165.525 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 73.63 59.83 0.09 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 124.98 1.425 . . . . 0.0 110.025 167.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.87 122.58 28.9 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.037 -169.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.22 -28.27 63.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.892 173.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.261 2.7 pt? -140.38 144.92 36.48 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.91 1.814 . . . . 0.0 112.508 175.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.488 HD11 ' SG ' ' A' ' 78' ' ' CYS . 60.0 mt -126.15 128.28 71.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 109.33 -3.577 . . . . 0.0 108.531 -177.455 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 41.8 t -115.07 136.75 52.78 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 112.46 -2.155 . . . . 0.0 109.049 -175.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.12 121.72 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 111.649 -2.523 . . . . 0.0 106.15 179.208 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -114.83 112.68 23.15 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.775 1.297 . . . . 0.0 108.616 175.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 p -100.86 155.87 17.69 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.848 -178.127 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.34 16.98 0.41 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 110.731 -2.941 . . . . 0.0 110.176 -166.341 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.763 ' HH ' ' HG ' ' A' ' 41' ' ' SER . 0.3 OUTLIER -141.54 2.42 1.62 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.745 -169.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.11 17.11 80.03 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 114.996 -1.002 . . . . 0.0 114.557 168.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -137.92 33.66 2.4 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 123.034 1.397 . . . . 0.0 109.666 175.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -69.07 -38.87 84.38 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 112.121 -2.309 . . . . 0.0 110.134 -177.034 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -27.95 68.12 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.253 -1.474 . . . . 0.0 112.453 177.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -68.16 -44.66 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.285 -170.169 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -77.91 -56.12 4.75 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.027 170.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 64.5 m -64.48 -25.71 68.12 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 113.501 -1.681 . . . . 0.0 115.04 -164.185 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -57.0 111.44 1.04 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.192 0.932 . . . . 0.0 109.99 -177.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.67 40.84 36.78 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 118.581 -1.771 . . . . 0.0 110.784 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.43 -26.23 58.17 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 126.364 1.861 . . . . 0.0 110.316 161.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -73.08 -32.02 64.74 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 117.619 -1.632 . . . . 0.0 109.507 172.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.351 33.6 tt0 -77.59 -26.43 50.76 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 169.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 5.3 tmtt? -76.18 -29.21 57.6 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 125.748 1.905 . . . . 0.0 112.72 166.8 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.488 ' SG ' HD11 ' A' ' 58' ' ' ILE . 69.9 m -77.14 -40.94 43.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 125.667 1.854 . . . . 0.0 110.495 171.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.87 -43.42 85.99 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 110.676 -2.965 . . . . 0.0 109.658 172.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 26.2 mm-40 -73.17 -29.88 63.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 109.172 -3.649 . . . . 0.0 112.226 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -3.19 27.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.343 176.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.67 46.49 7.86 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-O 122.471 1.039 . . . . 0.0 110.754 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -149.28 70.32 1.08 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 111.535 -2.332 . . . . 0.0 106.812 -175.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.65 127.03 55.99 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.24 -2.254 . . . . 0.0 110.449 -173.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.12 -28.0 5.46 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 107.104 -2.398 . . . . 0.0 107.104 -172.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.93 124.74 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-N 110.136 -3.032 . . . . 0.0 109.322 165.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -108.52 130.8 55.27 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 110.93 -2.85 . . . . 0.0 109.166 -178.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.7 mt -120.88 149.31 42.79 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.477 -172.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -114.77 131.46 56.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 109.48 -3.509 . . . . 0.0 109.807 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.6 p -125.86 123.84 65.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 114.092 -1.413 . . . . 0.0 109.053 179.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.91 152.19 20.66 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.814 -174.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.51 -122.37 7.17 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.887 -2.157 . . . . 0.0 112.076 164.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.41 71.93 3.77 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.374 1.083 . . . . 0.0 109.154 -175.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.419 HG13 ' H ' ' A' ' 95' ' ' VAL . 1.2 pt -86.25 -78.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 112.09 -2.323 . . . . 0.0 107.497 -172.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.419 ' H ' HG13 ' A' ' 94' ' ' ILE . 3.4 t -108.31 5.03 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 113.386 -1.733 . . . . 0.0 112.835 -177.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.4 t -53.86 104.25 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 112.33 -2.214 . . . . 0.0 110.98 -167.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 68.57 0.02 OUTLIER Glycine 0 C--N 1.351 1.373 0 CA-C-N 112.123 -2.308 . . . . 0.0 109.32 -174.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 42.35 15.25 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 112.648 -1.776 . . . . 0.0 111.503 178.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -151.46 116.69 5.3 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.162 -1.835 . . . . 0.0 108.032 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -134.08 160.65 37.12 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 112.914 -1.948 . . . . 0.0 108.691 -175.02 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.433 4.4 m-90 10.21 -67.61 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 130.115 3.366 . . . . 0.0 118.815 176.289 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.96 -50.0 12.7 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 N-CA-C 115.123 1.163 . . . . 0.0 115.123 173.665 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.8 -48.38 66.45 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.468 -1.697 . . . . 0.0 111.517 174.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.43 -59.08 4.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.166 -167.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.47 -27.97 69.35 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.75 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -58.52 -38.02 76.85 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 117.784 -1.567 . . . . 0.0 111.461 173.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -69.99 -53.35 18.07 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.372 -179.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -72.36 -54.98 7.86 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.721 -167.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -63.34 -28.67 70.16 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.6 177.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.85 76.06 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.59 -1.244 . . . . 0.0 112.643 175.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.6 mmt -65.43 -29.94 70.68 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 119.022 -1.071 . . . . 0.0 112.118 173.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.76 20.22 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.544 176.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.16 146.56 30.47 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.084 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.24 -72.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -158.174 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -144.26 149.18 35.9 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.118 0.886 . . . . 0.0 110.181 -162.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.23 137.57 55.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.072 -175.685 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.63 146.97 41.08 Favored Pre-proline 0 C--N 1.356 0.872 0 CA-C-N 112.05 -2.341 . . . . 0.0 111.828 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -68.69 178.17 4.16 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.697 1.598 . . . . 0.0 113.437 170.368 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.44 122.42 2.79 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 122.238 1.958 . . . . 0.0 109.641 161.718 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.5 56.53 2.0 Allowed Glycine 0 C--N 1.349 1.3 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.741 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.104 -2.048 . . . . 0.0 107.851 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.5 p -60.33 116.97 20.07 Favored Pre-proline 0 C--N 1.351 0.662 0 O-C-N 125.443 1.715 . . . . 0.0 107.602 163.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -64.95 -9.72 22.55 Favored 'Trans proline' 0 C--N 1.365 1.439 0 O-C-N 122.671 0.827 . . . . 0.0 114.129 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.02 -37.18 19.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 125.251 1.595 . . . . 0.0 112.459 169.239 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -32.66 52.66 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.997 -1.456 . . . . 0.0 112.708 -177.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.3 -34.21 42.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 126.001 2.063 . . . . 0.0 109.336 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.24 -39.41 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 111.236 -2.711 . . . . 0.0 109.945 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.99 63.61 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.286 -1.779 . . . . 0.0 111.378 174.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -64.11 -55.16 23.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 116.406 -2.118 . . . . 0.0 113.303 170.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 19.1 ptp -64.84 -28.97 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.096 0.872 . . . . 0.0 110.964 -174.209 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -67.62 -57.12 6.97 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.795 177.722 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.432 ' CG ' ' H ' ' A' ' 133' ' ' VAL . 2.0 pp20? -66.55 -57.17 7.83 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 117.506 -1.678 . . . . 0.0 114.213 -177.104 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.432 ' H ' ' CG ' ' A' ' 132' ' ' GLU . 0.6 OUTLIER -59.36 -34.55 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 112.069 -2.332 . . . . 0.0 113.881 -170.269 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.1 mt -89.31 -18.61 26.61 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.131 0.894 . . . . 0.0 111.127 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.11 78.72 1.31 Allowed Glycine 0 C--N 1.353 1.498 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.068 178.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.69 162.57 5.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 112.33 -1.935 . . . . 0.0 107.017 -173.118 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.483 176.244 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.711 0.767 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.53 -53.21 9.0 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.672 178.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.07 165.42 25.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.912 177.055 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -96.04 109.89 22.22 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 113.15 -1.841 . . . . 0.0 108.068 167.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.0 m -87.19 140.17 29.82 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.831 -1.986 . . . . 0.0 106.922 170.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 149.32 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.915 0 C-N-CA 129.952 3.301 . . . . 0.0 105.003 176.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 2.4 t -123.88 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 1 CA-C-N 108.163 -4.108 . . . . 0.0 104.12 177.52 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.12 128.22 37.65 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 115.643 -2.423 . . . . 0.0 105.639 155.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.32 145.27 15.79 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.637 -2.074 . . . . 0.0 108.259 -177.251 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.41 120.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 117.774 -1.571 . . . . 0.0 107.41 -177.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 tt -98.88 144.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 CA-C-N 110.696 -2.956 . . . . 0.0 110.666 -156.828 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 -66.67 0.23 Allowed Glycine 0 C--N 1.349 1.289 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.498 165.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 p -163.33 -173.08 3.21 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.284 -1.958 . . . . 0.0 109.222 -162.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t0 77.91 169.2 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.042 -1.89 . . . . 0.0 110.917 167.515 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.5 p -144.05 50.32 1.34 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.711 -1.586 . . . . 0.0 109.852 -177.264 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -117.05 -59.95 1.9 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.045 -1.889 . . . . 0.0 109.384 178.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 66.45 26.9 9.97 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 113.264 -1.789 . . . . 0.0 111.414 -172.179 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.03 120.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.169 -168.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.62 24.55 76.62 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 112.632 -2.076 . . . . 0.0 112.573 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -151.77 38.82 0.61 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.697 -1.251 . . . . 0.0 108.639 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -165.86 -45.73 0.03 OUTLIER 'General case' 0 C--N 1.346 0.415 0 CA-C-N 111.844 -2.435 . . . . 0.0 106.926 -169.144 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -74.31 -33.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 CA-C-N 111.374 -2.648 . . . . 0.0 107.383 166.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.74 56.28 3.9 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 112.875 -1.966 . . . . 0.0 109.711 170.447 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.32 57.66 1.32 Allowed 'General case' 0 C--N 1.349 0.547 0 CA-C-N 112.997 -1.91 . . . . 0.0 106.184 164.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -139.8 -50.77 0.5 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 112.912 -1.949 . . . . 0.0 110.096 -168.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -84.61 -24.34 29.18 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 125.444 1.715 . . . . 0.0 111.096 -175.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.07 -43.15 58.81 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.959 -1.473 . . . . 0.0 108.81 176.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.65 97.72 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.68 -2.054 . . . . 0.0 109.868 175.142 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -89.27 38.3 0.89 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.884 176.481 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.77 22.59 3.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.231 165.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.62 33.81 88.23 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-N 112.788 -2.006 . . . . 0.0 112.844 177.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -107.08 148.98 28.11 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.82 104.79 10.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 168.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.6 t -122.54 131.51 73.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.188 -1.824 . . . . 0.0 107.878 -172.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.08 110.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.155 -2.293 . . . . 0.0 107.762 -168.426 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.65 111.48 20.7 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.304 -1.771 . . . . 0.0 108.685 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.9 mm -77.86 -39.96 26.6 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.252 178.591 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.88 175.78 51.15 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.458 -174.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.99 162.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.628 -1.786 . . . . 0.0 110.716 -175.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt 71.27 77.94 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.157 -2.292 . . . . 0.0 109.37 173.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 p 152.23 152.04 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 109.758 -3.383 . . . . 0.0 104.471 -161.107 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -150.28 -150.87 0.37 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.073 -1.421 . . . . 0.0 108.334 -169.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -47.96 -48.76 32.07 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 125.226 1.41 . . . . 0.0 113.914 -169.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.74 -27.58 68.41 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 124.914 1.384 . . . . 0.0 112.176 -173.567 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.776 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.58 -34.39 58.44 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.953 1.359 . . . . 0.0 113.162 -177.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.87 -46.33 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 110.099 -3.228 . . . . 0.0 111.792 156.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.94 -28.78 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.784 1.303 . . . . 0.0 111.362 -172.263 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.88 61.82 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.358 169.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.76 -30.2 65.32 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.673 -2.011 . . . . 0.0 113.413 168.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.51 -42.11 83.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.035 172.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.05 -50.39 13.19 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.917 -168.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.7 p -95.31 -28.76 14.83 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 125.59 1.807 . . . . 0.0 112.775 -171.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.261 56.4 mttp 92.58 57.46 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 112.13 -2.304 . . . . 0.0 109.976 169.007 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 123.62 26.12 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 109.738 -3.392 . . . . 0.0 111.214 -172.692 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.62 -17.65 50.63 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 125.663 1.852 . . . . 0.0 110.111 170.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.46 144.74 36.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.144 1.45 . . . . 0.0 111.623 173.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.9 mt -126.74 122.11 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 110.745 -2.934 . . . . 0.0 107.317 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.1 t -109.18 141.29 41.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.915 -2.402 . . . . 0.0 108.377 178.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -117.41 121.88 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 110.925 -2.852 . . . . 0.0 105.352 173.435 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.24 128.72 44.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 112.083 -2.326 . . . . 0.0 106.363 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -124.17 138.37 54.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 113.1 -1.864 . . . . 0.0 108.966 -162.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt -124.18 -27.47 3.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 111.849 -2.432 . . . . 0.0 110.616 -168.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -142.11 176.98 8.54 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -164.685 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.11 43.39 3.25 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 113.488 -1.687 . . . . 0.0 111.643 175.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -146.53 -1.41 0.71 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.665 176.601 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.43 -45.49 29.66 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 117.382 -2.342 . . . . 0.0 110.728 -173.139 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -80.7 -27.73 36.91 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 111.035 -2.583 . . . . 0.0 114.645 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.75 -35.16 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 O-C-N 124.952 1.407 . . . . 0.0 110.005 172.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -77.03 -29.94 55.5 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.281 -1.782 . . . . 0.0 111.118 175.301 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.455 ' SG ' HG21 ' A' ' 60' ' ' VAL . 35.8 t -70.58 -25.63 63.15 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.567 1.167 . . . . 0.0 114.041 -174.117 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -50.01 117.62 2.43 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.248 0.967 . . . . 0.0 112.315 -170.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.55 32.77 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 113.003 -1.908 . . . . 0.0 112.209 -176.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 -25.8 56.95 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.807 0.945 . . . . 0.0 110.113 152.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.02 88.52 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 117.896 -1.521 . . . . 0.0 108.846 172.153 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 28.3 tt0 -77.72 -26.31 49.97 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 176.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.353 30.4 mmtp -76.61 -29.49 56.54 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 125.176 1.547 . . . . 0.0 113.402 166.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.4 t -77.38 -32.34 54.85 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 125.069 1.481 . . . . 0.0 111.877 174.561 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.98 -34.14 51.03 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 110.852 -2.885 . . . . 0.0 111.06 173.796 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 31.7 mt-10 -73.29 -29.79 62.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 111.681 -2.509 . . . . 0.0 112.744 174.922 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.84 1.54 10.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.442 -1.708 . . . . 0.0 112.478 -177.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.95 38.29 36.2 Favored Glycine 0 C--N 1.354 1.529 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.49 34.55 1.65 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 111.596 -2.302 . . . . 0.0 109.091 -169.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 121.63 24.34 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.108 177.681 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.47 -28.53 1.49 Allowed Glycine 0 C--N 1.351 1.375 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -170.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.0 125.8 22.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 111.796 -2.202 . . . . 0.0 110.984 170.688 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.91 138.6 31.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 109.773 -3.376 . . . . 0.0 108.277 164.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.3 mt -114.04 137.15 52.1 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 123.462 1.601 . . . . 0.0 112.015 -174.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -107.9 146.8 31.86 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 110.442 -3.072 . . . . 0.0 108.419 173.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.28 123.77 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 111.497 -2.592 . . . . 0.0 106.218 175.84 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.77 149.43 20.61 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 125.022 1.451 . . . . 0.0 112.914 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.7 -143.8 15.8 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-N 111.913 -2.143 . . . . 0.0 111.613 166.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -81.03 81.24 7.33 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 112.697 -1.751 . . . . 0.0 108.086 173.454 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.9 pt -78.13 -50.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 110.953 -2.84 . . . . 0.0 110.359 -170.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.06 20.52 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 CA-C-N 111.281 -2.69 . . . . 0.0 109.162 173.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 p 52.44 67.55 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 110.995 -2.821 . . . . 0.0 113.175 172.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.24 97.7 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.075 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.4 169.03 24.69 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.05 -1.575 . . . . 0.0 108.802 -178.357 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 57.55 115.52 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 111.872 -2.422 . . . . 0.0 109.75 -160.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -88.84 115.13 26.16 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.749 -1.569 . . . . 0.0 110.144 -171.562 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.463 1.3 m-90 11.23 -69.51 0.0 OUTLIER Pre-proline 0 C--N 1.353 0.746 0 N-CA-C 120.247 3.425 . . . . 0.0 120.247 172.193 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.89 -28.27 30.74 Favored 'Trans proline' 0 C--N 1.363 1.31 0 N-CA-C 116.097 1.537 . . . . 0.0 116.097 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.06 -42.52 23.55 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.55 175.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.71 -54.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.947 -174.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.61 -27.96 61.56 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.842 -1.526 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -60.56 -39.85 89.48 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.61 -1.236 . . . . 0.0 111.816 169.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -73.31 -53.15 11.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.561 -173.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -74.3 -43.77 55.42 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.137 -169.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.42 -28.71 66.37 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.918 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.73 71.57 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.192 0.933 . . . . 0.0 112.005 174.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.32 -62.48 1.51 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.13 167.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 148.39 37.93 0.04 OUTLIER Glycine 0 C--N 1.351 1.361 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.8 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -81.18 146.08 30.68 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.838 -1.181 . . . . 0.0 108.418 169.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.51 -72.71 0.18 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.129 -1.85 . . . . 0.0 110.812 -178.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -145.1 156.2 43.76 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 124.293 0.996 . . . . 0.0 111.305 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.67 115.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.082 -177.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -86.48 139.0 33.68 Favored Pre-proline 0 C--N 1.357 0.928 0 O-C-N 124.559 1.162 . . . . 0.0 110.801 167.613 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -61.89 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.062 1.841 . . . . 0.0 114.729 173.063 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.25 121.78 4.95 Favored 'Trans proline' 0 C--N 1.362 1.251 0 C-N-CA 121.445 1.43 . . . . 0.0 110.744 166.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.91 53.35 2.56 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 113.021 -1.899 . . . . 0.0 111.307 178.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.03 137.46 40.28 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 112.634 -1.783 . . . . 0.0 109.217 178.785 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.587 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -49.98 160.03 0.7 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.802 163.015 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.16 -18.61 8.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.064 1.176 . . . . 0.0 113.07 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.507 -169.573 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.587 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.2 m -67.57 -37.12 82.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 113.622 -1.626 . . . . 0.0 112.857 176.69 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 m -79.67 -32.14 41.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 126.855 2.597 . . . . 0.0 108.721 -173.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 71.1 mt -75.21 -39.19 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.364 178.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.94 63.99 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.443 174.055 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -59.2 -55.36 35.96 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 113.069 -1.878 . . . . 0.0 112.276 170.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.7 ptp -70.66 -28.81 65.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.897 0.748 . . . . 0.0 112.119 -174.53 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -65.37 -56.46 12.46 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.766 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.34 -43.5 83.47 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.776 -1.556 . . . . 0.0 114.165 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.66 -47.15 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 113.763 -1.562 . . . . 0.0 112.079 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.6 mt -93.41 11.43 28.41 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.58 1.175 . . . . 0.0 112.329 -168.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.29 65.8 2.34 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.223 0.952 . . . . 0.0 111.65 176.084 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -149.27 155.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.408 -174.541 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 CA--C 1.542 0.662 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.145 178.061 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.688 0.756 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -90.43 89.2 7.48 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.033 -1.894 . . . . 0.0 109.012 -178.603 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -105.73 165.27 11.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.575 -2.102 . . . . 0.0 112.15 -170.572 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -111.94 110.02 20.12 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 108.898 -3.774 . . . . 0.0 106.414 159.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -96.26 115.69 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.178 -2.283 . . . . 0.0 107.526 -176.464 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.03 137.76 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.307 0 CA-C-N 112.177 -2.283 . . . . 0.0 106.355 171.824 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 0.9 OUTLIER -130.17 126.45 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.786 1 CA-C-N 108.185 -4.098 . . . . 0.0 104.023 -164.776 . . . . . . . . 4 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.67 129.46 38.83 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 117.299 -1.76 . . . . 0.0 111.084 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.45 145.27 16.01 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.564 165.032 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -97.82 120.64 47.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 170.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -96.79 143.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-N 112.848 -1.978 . . . . 0.0 108.723 -166.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.97 123.29 5.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 111.476 -2.602 . . . . 0.0 109.284 -174.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -71.92 160.78 31.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 112.288 -1.956 . . . . 0.0 112.2 -171.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 67.46 147.26 0.05 OUTLIER 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.749 -2.478 . . . . 0.0 111.741 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t 81.46 -1.06 1.66 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 111.658 -2.519 . . . . 0.0 112.502 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.2 m80 64.57 -115.62 0.38 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 114.557 -1.202 . . . . 0.0 112.356 164.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.88 35.64 1.38 Allowed 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.873 1.358 . . . . 0.0 111.51 -171.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.5 115.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.729 178.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.68 48.56 66.24 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.943 -174.062 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -164.53 40.49 0.08 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.571 -176.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -118.96 -51.21 2.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 112.663 -2.062 . . . . 0.0 108.29 -178.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tp -104.63 30.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 112.669 -2.06 . . . . 0.0 110.909 174.195 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -93.66 43.08 1.11 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 113.227 -1.806 . . . . 0.0 108.329 157.028 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -171.26 170.06 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 111.958 -2.383 . . . . 0.0 105.471 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 m80 62.09 32.8 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.815 -174.039 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.3 p -152.74 -54.87 0.12 Allowed 'General case' 0 C--N 1.349 0.546 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.504 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.71 -48.13 64.64 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 112.099 -2.319 . . . . 0.0 109.339 177.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -75.74 -34.39 60.31 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.054 -2.339 . . . . 0.0 109.928 -174.096 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -80.93 20.45 0.78 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 110.855 -2.884 . . . . 0.0 111.953 168.735 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.64 23.37 8.83 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 163.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.73 38.89 93.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 112.521 -2.127 . . . . 0.0 112.885 177.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.19 155.8 17.55 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.08 173.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -78.91 104.84 9.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.934 -2.394 . . . . 0.0 104.992 161.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.57 108.8 22.36 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.555 -173.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.53 111.47 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 110.667 -2.969 . . . . 0.0 107.235 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.75 107.18 17.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 111.976 -2.375 . . . . 0.0 106.409 177.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.87 -24.6 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.248 178.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.42 -124.55 7.48 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 112.118 -2.31 . . . . 0.0 109.022 170.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 m -97.06 170.31 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 111.53 -2.335 . . . . 0.0 110.421 -171.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -17.61 130.24 0.01 OUTLIER 'General case' 0 C--N 1.347 0.478 0 CA-C-N 110.02 -3.264 . . . . 0.0 115.1 164.023 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 -62.19 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 110.79 -2.914 . . . . 0.0 106.601 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p 138.04 167.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.905 0 O-C-N 126.582 2.426 . . . . 0.0 108.089 -177.461 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -47.72 -50.24 25.75 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.093 -2.321 . . . . 0.0 112.861 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.71 -20.74 65.19 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 124.324 1.015 . . . . 0.0 113.471 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.29 -29.6 20.26 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 124.171 0.92 . . . . 0.0 111.395 177.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.34 -39.16 54.71 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 123.247 1.499 . . . . 0.0 111.607 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -49.75 -38.48 13.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 109.857 -3.338 . . . . 0.0 111.859 159.159 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.88 -28.81 67.84 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.319 1.012 . . . . 0.0 111.697 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.74 -28.9 62.92 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.009 0.818 . . . . 0.0 110.613 167.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.15 67.52 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 116.297 -2.161 . . . . 0.0 113.76 167.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.84 -38.93 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.759 174.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -77.02 -50.39 13.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.01 -1.45 . . . . 0.0 112.022 -169.763 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.5 p -96.78 -29.27 13.85 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 125.525 1.766 . . . . 0.0 114.001 -173.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 86.53 75.63 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 O-C-N 125.853 1.971 . . . . 0.0 109.392 176.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.09 146.99 54.27 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 110.066 -3.243 . . . . 0.0 111.025 -175.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -33.6 15.87 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.552 154.639 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.274 2.7 pt? -140.57 144.74 36.02 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 123.152 1.454 . . . . 0.0 112.258 -176.557 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.52 HD12 ' SG ' ' A' ' 78' ' ' CYS . 35.5 mt -126.29 132.8 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 110.472 -3.058 . . . . 0.0 107.78 -179.579 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 m -114.93 140.72 48.78 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.078 -176.428 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.57 121.85 46.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 110.543 -3.026 . . . . 0.0 105.929 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.08 113.0 23.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.83 -171.337 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -111.34 122.58 48.22 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.018 -170.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -108.09 26.73 10.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.956 -175.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.12 178.91 8.97 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.672 -1.149 . . . . 0.0 107.966 -178.457 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.51 32.52 4.45 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.12 171.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.3 13.57 11.13 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 125.001 1.06 . . . . 0.0 109.431 178.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.49 -18.97 74.84 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.821 -176.267 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.38 -27.93 60.88 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.269 -1.465 . . . . 0.0 111.509 176.675 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -85.48 -44.08 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 113.164 -1.835 . . . . 0.0 109.87 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.06 -29.93 55.33 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.177 -1.828 . . . . 0.0 112.77 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.3 p -78.11 -39.04 42.55 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.364 1.04 . . . . 0.0 110.883 175.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.61 125.07 23.08 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.892 -1.504 . . . . 0.0 111.664 -172.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.11 11.76 72.24 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 112.321 -2.218 . . . . 0.0 112.638 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 32.0 tp -75.55 -30.23 59.65 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.463 0.743 . . . . 0.0 110.139 154.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -51.63 -54.26 29.81 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.502 1.126 . . . . 0.0 110.548 166.831 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.406 26.8 tt0 -77.47 -26.13 51.12 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 28.3 mmtp -76.24 -29.38 57.5 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.924 1.39 . . . . 0.0 113.5 169.485 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.52 ' SG ' HD12 ' A' ' 58' ' ' ILE . 78.8 m -77.31 -34.65 55.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 123.332 1.539 . . . . 0.0 111.538 172.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.18 -44.21 84.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 110.094 -3.23 . . . . 0.0 109.871 171.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.278 32.7 mt-10 -73.28 -29.66 62.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 109.747 -3.388 . . . . 0.0 112.76 -176.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.76 0.33 13.38 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.468 -177.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 34.06 48.71 Favored Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -178.017 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.2 mt -135.95 44.91 2.43 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.865 -2.168 . . . . 0.0 108.696 -171.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 123.14 31.72 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.647 -2.069 . . . . 0.0 109.442 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.87 -31.17 2.22 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 107.309 -2.316 . . . . 0.0 107.309 -173.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -64.83 124.84 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.407 -2.397 . . . . 0.0 110.851 169.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.1 143.73 26.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 108.84 -3.8 . . . . 0.0 108.19 169.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.4 mt -121.23 130.64 53.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.778 -169.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.86 137.01 46.61 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 110.546 -3.025 . . . . 0.0 107.308 175.336 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.91 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 112.658 -2.065 . . . . 0.0 107.78 176.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.34 152.05 21.77 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.815 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.99 -153.88 25.59 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 111.543 -2.328 . . . . 0.0 108.869 -178.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -97.04 60.69 1.72 Allowed 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.137 -1.531 . . . . 0.0 108.529 171.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -80.25 152.35 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 112.08 -2.327 . . . . 0.0 106.934 -175.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.263 0.3 OUTLIER 81.06 174.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 112.41 -2.177 . . . . 0.0 111.168 -172.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -91.97 22.91 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 109.354 -3.566 . . . . 0.0 111.871 -169.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.94 -169.74 12.2 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.397 -169.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? 57.96 29.14 17.21 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 112.743 -1.729 . . . . 0.0 112.634 174.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -156.44 99.58 1.91 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.825 -1.989 . . . . 0.0 107.428 -171.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -94.51 55.0 1.89 Allowed 'General case' 0 C--N 1.351 0.669 0 CA-C-N 113.27 -1.787 . . . . 0.0 109.598 -177.523 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.363 1.9 m-90 77.33 10.64 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 N-CA-C 120.522 3.527 . . . . 0.0 120.522 173.157 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -82.09 -52.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.975 0 CA-C-N 122.203 1.823 . . . . 0.0 111.311 164.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.16 -29.8 38.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.466 -2.152 . . . . 0.0 111.459 -173.118 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.18 -46.55 83.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.796 -174.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -73.55 -28.0 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.328 -1.305 . . . . 0.0 111.075 178.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.66 -43.15 97.99 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.33 176.048 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -75.49 -53.11 9.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.773 -175.158 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.93 -49.62 69.68 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.46 -169.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -69.29 -28.59 66.42 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.131 -2.304 . . . . 0.0 112.538 -178.398 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.0 69.11 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.038 0.836 . . . . 0.0 112.471 172.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.58 -45.02 84.86 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.314 1.009 . . . . 0.0 109.926 169.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.35 1.03 1.11 Allowed Glycine 0 CA--C 1.537 1.415 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.252 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 146.04 15.28 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.185 0.993 . . . . 0.0 111.604 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.3 -61.29 2.05 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 112.141 -2.299 . . . . 0.0 109.601 -174.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -145.07 150.16 36.34 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.161 -175.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.12 122.9 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.812 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -92.27 116.77 67.07 Favored Pre-proline 0 C--N 1.357 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 169.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -56.58 170.4 1.33 Allowed 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 120.856 1.037 . . . . 0.0 113.941 168.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -73.05 118.92 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 120.667 0.911 . . . . 0.0 111.068 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 105.13 26.21 6.4 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 112.84 -1.982 . . . . 0.0 112.393 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -89.01 137.06 32.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 122.316 1.055 . . . . 0.0 108.873 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.629 ' HG ' ' H ' ' A' ' 125' ' ' THR . 4.9 p -60.77 167.08 3.73 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 111.812 -2.449 . . . . 0.0 109.9 170.168 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.13 -13.2 9.1 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 120.597 0.864 . . . . 0.0 113.099 167.178 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.95 -29.85 69.82 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 121.6 0.714 . . . . 0.0 111.628 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.629 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.6 OUTLIER -70.14 -36.65 74.93 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.036 -1.893 . . . . 0.0 112.211 175.818 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.5 m -79.57 -31.03 41.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 127.481 2.988 . . . . 0.0 109.478 -172.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.12 -42.0 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.775 178.151 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 112.532 -2.122 . . . . 0.0 109.715 176.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' THR . 19.2 t0 -60.02 -55.25 36.33 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.757 -2.02 . . . . 0.0 112.7 171.406 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.4 ptp -69.28 -28.93 66.72 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.003 0.814 . . . . 0.0 111.977 -172.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -70.93 -57.09 4.92 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.661 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.18 -33.49 65.32 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.67 -46.5 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.434 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.0 mt -97.33 40.31 1.16 Allowed 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.257 0.973 . . . . 0.0 112.021 -167.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.28 43.77 37.35 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 114.326 -1.307 . . . . 0.0 112.744 171.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.33 -160.56 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -178.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.671 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.381 171.559 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 121.563 0.696 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 157.19 28.43 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.281 -1.781 . . . . 0.0 110.058 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' NZ ' ' HG1' ' A' ' 53' ' ' THR . 0.0 OUTLIER -105.95 165.34 11.27 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 111.778 -2.465 . . . . 0.0 108.222 178.092 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.67 109.72 21.62 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.216 -1.811 . . . . 0.0 107.44 171.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.499 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 29.7 m -96.32 134.76 39.04 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.346 171.418 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.15 122.64 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.009 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 164.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.5 t -101.38 124.91 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 CA-C-N 108.826 -3.806 . . . . 0.0 102.654 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.32 129.08 39.02 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 117.956 -1.498 . . . . 0.0 109.089 173.635 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.85 145.4 15.96 Favored Glycine 0 C--N 1.357 1.72 0 CA-C-N 111.859 -2.428 . . . . 0.0 109.523 175.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.91 119.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.142 0 C-N-CA 114.226 -2.99 . . . . 0.0 106.128 178.567 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 142.04 16.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 O-C-N 125.569 1.793 . . . . 0.0 110.173 -163.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.15 -105.96 0.59 Allowed Glycine 0 C--N 1.344 0.975 0 CA-C-N 109.953 -3.294 . . . . 0.0 109.95 178.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.8 p -168.02 -141.68 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 113.194 -1.503 . . . . 0.0 107.253 -175.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 68.83 168.99 0.29 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.28 169.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.14 52.99 1.06 Allowed 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.526 -2.125 . . . . 0.0 107.714 169.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -160.86 124.8 3.47 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.6 -169.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.18 85.14 1.45 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.628 -1.624 . . . . 0.0 109.565 -175.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.15 138.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 112.755 -2.021 . . . . 0.0 109.384 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.69 157.51 1.19 Allowed Glycine 0 C--N 1.349 1.287 0 CA-C-N 111.826 -2.443 . . . . 0.0 112.075 173.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 58.94 26.97 15.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 111.962 -2.119 . . . . 0.0 113.431 165.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.07 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.347 0.461 0 CA-C-N 113.906 -1.497 . . . . 0.0 107.819 179.042 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.2 tp -89.0 -23.08 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.914 163.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -135.15 66.47 1.52 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.073 173.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -102.27 -25.34 13.71 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.39 170.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -48.79 -38.26 21.5 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 125.996 2.06 . . . . 0.0 113.03 -172.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -61.41 -44.57 96.91 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.254 -1.794 . . . . 0.0 112.712 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.23 -36.03 66.37 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.088 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.25 -32.47 73.51 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.326 -1.761 . . . . 0.0 110.647 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -103.48 22.29 14.52 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.712 -2.04 . . . . 0.0 110.94 176.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.02 2.06 53.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.147 166.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.63 26.12 66.02 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.229 -173.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -97.75 157.0 16.31 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 118.169 -1.412 . . . . 0.0 107.76 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.77 115.9 17.88 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 103.455 -2.794 . . . . 0.0 103.455 160.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.18 108.75 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 109.17 -177.082 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.71 110.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 111.392 -2.64 . . . . 0.0 107.826 178.034 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -86.98 98.02 11.03 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.107 173.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -73.55 -41.73 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 112.462 -2.153 . . . . 0.0 107.736 167.256 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 -21.73 25.66 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 112.24 -2.255 . . . . 0.0 115.27 151.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.29 170.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -159.109 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.8 mt -39.96 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.732 4.413 . . . . 0.0 115.009 -172.362 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 p -65.96 101.53 0.68 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -178.83 65.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.757 0 CA-C-N 112.404 -2.18 . . . . 0.0 109.465 -171.439 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.28 -28.95 69.55 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 112.541 -2.118 . . . . 0.0 112.2 170.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.35 -28.5 69.74 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.177 1.548 . . . . 0.0 111.179 176.201 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -87.01 -26.68 23.63 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.734 -1.576 . . . . 0.0 111.18 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.39 -39.55 53.37 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-O 123.516 1.627 . . . . 0.0 111.857 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -49.84 -40.3 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.588 -3.46 . . . . 0.0 111.409 161.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -72.38 -28.82 63.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 124.608 1.192 . . . . 0.0 111.688 -174.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' O ' HG22 ' A' ' 53' ' ' THR . . . -72.28 -28.6 63.21 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.483 167.672 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.52 60.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.398 1.062 . . . . 0.0 112.919 170.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.69 -36.58 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 171.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.62 -50.87 26.76 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.277 -171.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.499 ' HG1' ' HG1' ' A' ' 5' ' ' THR . 1.1 t -91.07 -39.61 12.08 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 110.793 -2.912 . . . . 0.0 112.351 -168.452 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 7.1 mtmp? 85.89 77.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.661 0 CA-C-N 111.449 -2.614 . . . . 0.0 109.464 -164.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.84 58.23 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.504 -178.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -30.03 17.71 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.187 -1.37 . . . . 0.0 110.002 156.275 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.324 2.6 pt? -140.45 145.03 36.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 122.95 1.357 . . . . 0.0 112.963 177.697 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.524 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 46.0 mt -122.89 125.1 71.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 110.74 -2.936 . . . . 0.0 107.548 177.37 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.32 137.19 52.31 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 111.591 -2.549 . . . . 0.0 110.316 -175.293 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.47 121.82 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 110.457 -3.065 . . . . 0.0 106.526 178.318 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t -115.01 112.73 23.11 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.725 1.266 . . . . 0.0 108.361 -174.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -109.31 135.23 50.72 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.116 -155.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.83 72.04 0.07 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-N 113.457 -1.702 . . . . 0.0 111.043 176.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' HH ' ' CG ' ' A' ' 70' ' ' ASP . 0.3 OUTLIER -156.24 20.48 0.36 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.286 168.742 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.87 18.57 68.72 Favored Glycine 0 C--N 1.358 1.796 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.053 173.284 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -148.86 42.4 0.96 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 123.048 1.404 . . . . 0.0 107.938 -171.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.97 78.76 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 112.382 -2.19 . . . . 0.0 112.546 -174.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' CB ' HH22 ' A' ' 107' ' ' ARG . 13.4 pt-20 -79.1 -30.49 43.86 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.418 -0.891 . . . . 0.0 110.813 174.459 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.68 -44.27 79.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 112.8 -2.0 . . . . 0.0 110.687 -170.635 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.414 ' CG ' ' HH ' ' A' ' 64' ' ' TYR . 63.2 m-20 -77.3 -56.66 4.36 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 117.063 -1.855 . . . . 0.0 110.807 172.062 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.4 m -71.59 -38.8 70.83 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.736 -1.574 . . . . 0.0 112.745 -150.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.66 117.44 8.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.34 1.067 . . . . 0.0 111.496 -173.337 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.483 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 103.02 20.69 10.95 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 111.688 -2.505 . . . . 0.0 111.714 -176.018 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.53 -26.97 58.5 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.59 0.817 . . . . 0.0 111.199 161.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.9 tpp180 -56.49 -54.36 46.71 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.562 168.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.376 24.5 mp0 -77.08 -26.07 53.03 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 116.993 2.219 . . . . 0.0 116.993 -177.919 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -76.26 -29.26 57.39 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 125.654 1.846 . . . . 0.0 113.166 169.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.13 -33.81 56.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 123.19 1.472 . . . . 0.0 111.356 174.105 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.77 -34.79 67.2 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 110.552 -3.022 . . . . 0.0 110.437 173.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.323 2.0 pt-20 -73.13 -29.92 63.24 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.724 -2.489 . . . . 0.0 112.205 177.251 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.65 1.5 10.07 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.109 -2.314 . . . . 0.0 112.497 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.76 46.23 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.4 mt -140.71 43.48 1.84 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.802 -2.199 . . . . 0.0 108.831 -171.132 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 112.09 18.29 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 113.318 -1.764 . . . . 0.0 109.089 170.064 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.01 -29.3 0.59 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.798 -2.455 . . . . 0.0 108.453 -170.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.92 127.54 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 111.582 -2.309 . . . . 0.0 109.857 165.745 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -87.78 146.06 25.81 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 110.912 -2.858 . . . . 0.0 107.671 161.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.524 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.1 mt -125.25 133.8 52.55 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 122.545 1.164 . . . . 0.0 112.015 -170.717 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -107.94 129.95 55.07 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.223 -2.717 . . . . 0.0 107.787 169.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.0 123.94 71.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.716 167.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.58 152.33 20.64 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 112.128 -2.305 . . . . 0.0 108.45 -171.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.22 -144.92 16.99 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 177.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -79.92 -34.8 38.65 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.666 -1.767 . . . . 0.0 110.302 173.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . 0.266 2.7 pp 46.23 39.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.524 178.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.504 ' CG2' ' H ' ' A' ' 96' ' ' VAL 0.261 12.4 p 58.21 -150.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-N 111.502 -2.59 . . . . 0.0 108.038 173.655 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.504 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 55.2 t -129.82 117.86 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-N 111.111 -2.768 . . . . 0.0 106.519 153.339 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.48 62.23 2.76 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 112.292 -2.231 . . . . 0.0 109.958 175.827 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 73.25 122.04 0.04 OUTLIER 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.15 -2.025 . . . . 0.0 110.09 -175.24 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 72.94 -100.18 0.03 OUTLIER 'General case' 0 C--N 1.355 0.828 0 CA-C-N 113.594 -1.639 . . . . 0.0 112.234 172.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -177.08 147.48 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 112.769 -2.014 . . . . 0.0 106.669 -171.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.49 1.2 m-90 24.93 -76.59 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 119.438 3.125 . . . . 0.0 119.438 168.252 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.05 -43.99 29.16 Favored 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 115.66 1.369 . . . . 0.0 115.66 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -80.19 -40.35 27.39 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.976 178.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.73 -51.76 42.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.232 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.0 -34.11 74.3 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 124.882 1.364 . . . . 0.0 112.47 174.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.55 -37.18 80.4 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.522 175.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.439 HH22 ' CB ' ' A' ' 68' ' ' GLU . 57.4 ttp85 -78.11 -42.36 32.22 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.392 1.057 . . . . 0.0 112.175 -176.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.74 -53.94 19.0 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.46 -175.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -70.74 -32.05 69.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.68 -175.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.0 62.96 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.308 1.005 . . . . 0.0 112.096 -179.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.483 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.55 -33.53 75.24 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 118.937 -1.105 . . . . 0.0 110.184 175.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.13 -39.21 0.11 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 118.669 -1.729 . . . . 0.0 113.156 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.58 146.09 37.12 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.496 1.141 . . . . 0.0 112.391 -166.19 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.94 -49.26 20.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.267 -2.242 . . . . 0.0 109.821 178.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -145.06 148.83 34.11 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.818 -165.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -123.31 114.01 40.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.896 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -89.88 116.77 67.16 Favored Pre-proline 0 C--N 1.36 1.048 0 O-C-N 124.263 0.977 . . . . 0.0 110.547 168.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -57.57 177.46 0.22 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 N-CA-C 116.462 1.678 . . . . 0.0 116.462 169.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.57 120.29 7.95 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.614 1.542 . . . . 0.0 113.661 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.06 44.21 37.0 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.448 -1.705 . . . . 0.0 112.989 173.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -81.37 137.2 35.74 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.619 -1.29 . . . . 0.0 108.648 172.696 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.615 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.4 p -55.04 160.21 3.27 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 112.165 -2.289 . . . . 0.0 109.994 170.38 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.11 -11.97 9.64 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 O-C-N 122.85 0.921 . . . . 0.0 113.45 171.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -69.75 -29.92 67.38 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.056 0.847 . . . . 0.0 110.468 -176.341 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.615 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.3 OUTLIER -69.95 -37.4 75.82 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.948 174.829 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.9 m -79.57 -33.06 42.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.521 2.388 . . . . 0.0 109.158 -169.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 66.4 mt -75.12 -42.25 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 126.386 2.304 . . . . 0.0 109.885 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.22 -30.93 63.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.084 -1.871 . . . . 0.0 110.625 175.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -65.45 -48.54 72.36 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 112.75 -2.023 . . . . 0.0 112.651 171.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.6 ptp -68.52 -28.94 67.44 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.731 0.696 . . . . 0.0 112.472 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -68.17 -57.1 6.58 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.561 177.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.08 -37.71 77.74 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.514 -177.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.68 -47.05 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.833 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.3 mt -89.62 3.23 53.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 124.326 1.016 . . . . 0.0 111.987 -167.443 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.28 61.16 1.41 Allowed Glycine 0 C--N 1.354 1.561 0 O-C-N 124.214 0.946 . . . . 0.0 110.925 175.517 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.98 157.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 112.227 -1.986 . . . . 0.0 107.292 -175.026 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.95 175.785 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 121.671 0.748 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.52 121.75 24.99 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.39 174.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -105.73 165.12 11.4 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.317 -174.379 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.88 135.09 54.58 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 109.597 -3.456 . . . . 0.0 108.207 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.4 m -101.94 123.35 45.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.373 -2.649 . . . . 0.0 107.928 -178.388 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.01 147.21 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 129.896 3.278 . . . . 0.0 104.243 170.883 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.282 2.3 t -130.14 130.98 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 108.719 -3.855 . . . . 0.0 103.524 -174.362 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.33 129.15 39.11 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 116.859 -1.936 . . . . 0.0 109.761 166.801 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.89 145.83 16.11 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 111.18 -2.736 . . . . 0.0 109.293 174.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.85 120.48 47.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 tt -109.22 136.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 125.24 1.588 . . . . 0.0 109.52 -168.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.48 63.95 3.31 Favored Glycine 0 C--N 1.35 1.316 0 CA-C-N 112.798 -2.001 . . . . 0.0 109.104 -175.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.58 47.66 0.45 Allowed 'General case' 0 C--N 1.346 0.427 0 CA-C-N 110.997 -2.602 . . . . 0.0 108.79 -157.374 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.16 82.69 3.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 112.174 -2.285 . . . . 0.0 110.056 -174.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 p 176.28 -69.0 0.01 OUTLIER 'General case' 0 C--N 1.346 0.427 0 CA-C-N 111.042 -2.799 . . . . 0.0 106.9 -174.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -174.34 174.44 2.81 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.128 -1.851 . . . . 0.0 108.122 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.51 76.62 8.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.439 -1.709 . . . . 0.0 109.01 172.254 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.72 113.84 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.133 -169.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.77 -46.87 2.08 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.261 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -65.84 -21.88 66.5 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 113.08 -1.56 . . . . 0.0 112.314 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -60.68 -41.15 94.53 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.54 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.042 175.774 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.94 -12.06 60.08 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.082 -168.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -71.8 145.39 48.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.501 171.073 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.2 t60 73.85 40.5 0.47 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.102 -171.068 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -124.62 -47.95 1.82 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 111.041 -2.8 . . . . 0.0 106.496 162.114 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -74.49 -43.26 56.83 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 112.351 -2.204 . . . . 0.0 109.004 175.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -37.07 86.02 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 112.799 -2.001 . . . . 0.0 110.296 174.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -89.28 19.05 4.6 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.08 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.53 4.5 52.0 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.159 176.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.93 74.38 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.246 -171.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -100.45 153.14 19.6 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -78.86 104.79 9.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 165.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.4 t -127.07 113.68 33.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.88 -173.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.95 110.95 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 110.899 -2.864 . . . . 0.0 107.551 165.653 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -85.88 97.96 10.51 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.989 -1.914 . . . . 0.0 107.131 171.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -22.53 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.58 176.429 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.17 -87.24 1.03 Allowed Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.217 -1.81 . . . . 0.0 112.289 151.757 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.14 170.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 112.482 -1.859 . . . . 0.0 110.217 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.95 144.7 4.46 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.581 -3.009 . . . . 0.0 112.666 -175.852 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -157.29 -79.33 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 111.255 -2.702 . . . . 0.0 108.471 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' HG ' ' H ' ' A' ' 44' ' ' GLU . 1.8 t 170.03 155.09 0.05 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.877 1.36 . . . . 0.0 108.112 -177.275 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 88.6 mt-30 -48.01 -55.02 11.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.654 -1.165 . . . . 0.0 111.712 170.82 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' H ' ' HG ' ' A' ' 42' ' ' SER . 27.3 tp10 -61.27 -16.44 45.54 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.935 1.397 . . . . 0.0 112.76 -176.199 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.34 -31.8 15.94 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.188 -177.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -40.45 49.88 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 123.618 1.675 . . . . 0.0 111.669 176.523 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.9 mt -49.85 -37.12 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 109.513 -3.494 . . . . 0.0 112.247 158.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.29 -28.81 67.51 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.195 -179.024 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.43 77.42 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.316 1.01 . . . . 0.0 109.824 163.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -30.29 66.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 176.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.64 -37.29 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.644 174.859 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.21 -50.26 28.93 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.003 -172.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 p -105.09 -25.73 12.4 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 113.471 -1.695 . . . . 0.0 112.946 -169.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 88.03 62.01 0.01 OUTLIER 'General case' 0 C--N 1.346 0.417 0 O-C-N 125.748 1.905 . . . . 0.0 109.975 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.415 ' O ' ' CD1' ' A' ' 86' ' ' ILE . . . -85.37 122.43 29.51 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.639 -174.528 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.418 ' HA ' ' CG1' ' A' ' 86' ' ' ILE . 29.0 t70 -84.44 -14.81 48.24 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 126.118 2.136 . . . . 0.0 109.281 172.759 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.45 144.34 44.35 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 124.383 2.04 . . . . 0.0 112.17 167.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.6 mt -132.14 120.7 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 1 CA-C-N 108.32 -4.037 . . . . 0.0 108.112 -177.541 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.01 140.89 36.69 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.688 175.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.22 121.45 37.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 111.303 -2.68 . . . . 0.0 105.382 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.44 113.18 23.38 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 113.511 -1.677 . . . . 0.0 108.747 -173.171 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.84 126.23 47.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.66 -39.79 43.85 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.678 -175.149 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 49.2 t80 -88.64 -172.68 3.83 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 164.256 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 64' ' ' TYR . . . -77.78 49.46 3.12 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.683 161.627 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 1.22 36.96 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.724 -1.238 . . . . 0.0 111.615 -168.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.09 -18.91 70.94 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.848 -1.524 . . . . 0.0 113.569 -171.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.2 -31.24 71.49 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 117.271 -1.772 . . . . 0.0 110.342 176.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -91.21 -44.49 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.202 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -77.53 -56.21 4.72 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.463 -172.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.09 -37.3 46.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.045 -2.343 . . . . 0.0 111.373 -163.064 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.52 116.82 5.02 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.108 -168.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.33 32.55 31.0 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 112.616 -2.084 . . . . 0.0 112.104 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.76 -27.83 58.21 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 125.006 1.062 . . . . 0.0 112.663 162.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.454 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 64.9 ttp85 -73.23 -37.42 66.39 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 116.585 -2.046 . . . . 0.0 109.262 175.526 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.438 15.1 tp10 -77.57 -26.21 50.64 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.263 1.1 tpmt? -76.2 -29.43 57.62 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 125.255 1.597 . . . . 0.0 112.019 167.459 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . 0.546 ' SG ' HG21 ' A' ' 86' ' ' ILE . 14.5 p -77.13 -43.01 35.64 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 123.485 1.612 . . . . 0.0 110.083 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.07 -37.57 87.91 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 109.476 -3.511 . . . . 0.0 108.469 176.674 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 29.1 mm-40 -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 112.354 -2.203 . . . . 0.0 113.485 175.803 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -0.11 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.92 -177.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.68 37.85 18.58 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 120.06 -1.067 . . . . 0.0 110.963 -177.366 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.12 -165.32 1.3 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.039 -2.081 . . . . 0.0 105.846 171.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.326 61.6 mmtt -70.83 -173.42 0.78 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.445 -2.161 . . . . 0.0 114.243 -175.654 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.21 49.98 1.49 Allowed Glycine 0 C--N 1.345 1.045 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 158.727 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.546 HG21 ' SG ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -63.74 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.732 -3.734 . . . . 0.0 106.925 -167.187 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -87.47 117.03 25.99 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 109.768 -3.378 . . . . 0.0 108.226 -159.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 21.6 mt -110.65 140.34 45.09 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 113.424 -1.716 . . . . 0.0 110.952 -163.591 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -107.67 145.34 33.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 110.565 -3.016 . . . . 0.0 107.103 172.058 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.25 123.96 34.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 114.235 -1.348 . . . . 0.0 108.157 170.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.19 152.17 17.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.334 -164.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.84 -134.91 13.85 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-N 110.817 -2.692 . . . . 0.0 110.406 174.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -74.97 145.71 42.3 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.756 -1.722 . . . . 0.0 107.179 164.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt -147.88 -36.16 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.543 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.3 p -115.28 162.55 13.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 123.62 1.676 . . . . 0.0 108.922 -176.323 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.31 55.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 108.959 -3.746 . . . . 0.0 108.202 178.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.19 -91.54 0.37 Allowed Glycine 0 C--N 1.35 1.328 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.915 -169.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 48.97 51.56 15.91 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 112.643 -1.779 . . . . 0.0 110.471 -177.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 76.9 -132.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 109.534 -3.484 . . . . 0.0 107.954 -169.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -154.51 152.95 30.69 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.402 1.063 . . . . 0.0 108.277 -178.195 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.5 1.5 m-90 22.32 -67.0 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 130.397 3.479 . . . . 0.0 119.572 161.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.88 -50.56 11.5 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.41 1.182 . . . . 0.0 115.165 169.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.06 -35.64 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 113.475 -1.693 . . . . 0.0 112.681 177.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.73 -43.88 76.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.82 -173.359 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -71.91 -28.24 63.36 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.088 177.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -58.57 -42.81 88.79 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.978 172.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -72.91 -50.12 25.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.965 -177.014 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -71.21 -46.43 61.22 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.857 -1.519 . . . . 0.0 111.59 -170.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -75.47 -28.83 59.4 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.016 -1.902 . . . . 0.0 112.235 -175.284 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.14 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.485 1.116 . . . . 0.0 111.169 175.595 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -43.86 96.09 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.925 174.141 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.454 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 163.8 -11.46 0.09 OUTLIER Glycine 0 C--N 1.355 1.621 0 C-N-CA 118.72 -1.705 . . . . 0.0 114.217 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.24 135.14 51.53 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 122.59 1.186 . . . . 0.0 111.182 -176.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.7 -56.97 6.41 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 111.768 -2.469 . . . . 0.0 109.848 -177.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.2 156.01 43.6 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.787 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.22 139.0 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 112.557 -2.11 . . . . 0.0 110.021 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -106.58 126.14 31.09 Favored Pre-proline 0 C--N 1.359 1.004 0 O-C-N 124.867 1.354 . . . . 0.0 109.845 164.005 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.96 177.06 0.75 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 121.352 1.368 . . . . 0.0 114.067 167.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.97 119.05 4.95 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.006 1.138 . . . . 0.0 110.971 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.01 41.35 3.08 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.892 178.375 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 137.13 40.78 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.588 -1.306 . . . . 0.0 109.436 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.576 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.1 p -59.97 160.16 17.22 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.222 170.009 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.16 -13.39 8.96 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 120.898 1.066 . . . . 0.0 114.773 170.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.82 -29.67 70.64 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.543 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.576 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.5 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.446 -1.707 . . . . 0.0 113.006 176.6 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 m -79.59 -34.49 40.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 127.244 2.84 . . . . 0.0 109.74 -171.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.18 -40.24 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 111.373 -2.648 . . . . 0.0 109.921 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.87 63.82 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.095 -1.866 . . . . 0.0 110.047 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 125' ' ' THR . 5.9 t0 -56.79 -55.41 34.69 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 112.492 -2.14 . . . . 0.0 112.383 171.37 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -71.92 -33.86 68.61 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.336 1.022 . . . . 0.0 111.825 -173.251 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.39 -57.13 14.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.309 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.22 -30.96 70.15 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.937 -176.308 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.18 -39.0 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.166 177.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.8 -5.63 59.05 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.801 1.313 . . . . 0.0 110.403 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.94 59.34 10.31 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.001 172.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.48 135.91 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 111.962 -2.119 . . . . 0.0 109.815 -170.828 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.351 0.633 0 CA-C-N 112.872 -1.967 . . . . 0.0 109.053 -175.8 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 121.833 0.825 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.78 160.0 21.32 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.998 177.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.95 165.25 11.34 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.479 -2.146 . . . . 0.0 107.091 174.21 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -112.68 109.64 19.29 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.869 1.356 . . . . 0.0 109.288 176.06 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -89.45 115.93 27.25 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 110.42 -3.082 . . . . 0.0 106.917 175.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.92 149.23 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.905 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 165.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.29 0.9 OUTLIER -130.29 130.76 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.659 -3.882 . . . . 0.0 103.498 -173.465 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.55 128.99 38.44 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.162 166.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.7 145.93 16.18 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 111.732 -2.486 . . . . 0.0 109.032 173.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.47 120.74 47.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 118.231 -1.388 . . . . 0.0 107.787 175.184 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.53 144.14 18.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.079 -2.328 . . . . 0.0 110.99 -167.739 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.27 97.33 1.6 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 110.48 -3.054 . . . . 0.0 112.243 160.679 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m 44.27 65.52 1.03 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 111.165 -2.517 . . . . 0.0 112.165 175.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -73.19 109.52 6.77 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.836 -167.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -102.89 -74.71 0.63 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.591 172.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -89.16 105.96 18.12 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 164.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.25 60.3 3.17 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.005 -1.907 . . . . 0.0 111.197 -167.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.87 119.13 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.844 -1.525 . . . . 0.0 110.661 -179.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.7 -73.7 0.16 Allowed Glycine 0 C--N 1.35 1.306 0 CA-C-N 112.322 -2.217 . . . . 0.0 107.913 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -58.8 -26.82 64.47 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 112.446 -1.877 . . . . 0.0 112.933 174.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -95.47 -48.38 5.87 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.445 -173.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.24 84.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.9 37.68 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 110.647 -2.979 . . . . 0.0 106.656 162.912 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.34 -32.63 7.1 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.09 -2.323 . . . . 0.0 109.966 -162.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -87.06 39.34 0.85 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 113.986 -1.461 . . . . 0.0 112.008 -169.013 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.0 p -135.73 -51.93 0.74 Allowed 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.303 172.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -74.9 -47.81 28.0 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.958 -174.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -32.34 73.36 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.649 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -80.21 9.43 5.68 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.242 176.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 1.9 11.67 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 172.772 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.0 32.14 76.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 113.581 -1.645 . . . . 0.0 111.544 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 161.19 28.02 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 116.373 -2.131 . . . . 0.0 107.296 174.229 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -90.41 104.41 17.0 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 114.64 -2.824 . . . . 0.0 104.203 160.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -127.29 141.14 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 111.179 -2.737 . . . . 0.0 107.936 -169.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 114.98 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.392 -163.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -85.8 97.93 10.46 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 173.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.56 -28.49 37.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.552 -166.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.03 -175.22 18.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.888 177.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -88.2 125.07 41.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 111.176 -2.512 . . . . 0.0 108.887 174.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.68 150.3 2.15 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 112.797 -2.001 . . . . 0.0 109.651 166.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -104.67 61.54 0.71 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 112.386 -2.188 . . . . 0.0 107.419 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -160.74 113.34 1.97 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.281 -168.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -47.87 -51.52 22.72 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 112.378 -2.192 . . . . 0.0 112.956 168.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -23.6 56.44 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 124.645 1.215 . . . . 0.0 112.956 -171.488 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -79.13 -39.32 33.89 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.233 0.958 . . . . 0.0 111.688 177.095 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -38.13 56.7 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 123.002 1.382 . . . . 0.0 112.241 -176.141 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.85 -39.9 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.916 160.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -71.19 -28.87 64.54 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.366 1.041 . . . . 0.0 111.109 -175.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.85 61.66 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 169.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.18 67.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 116.409 -2.116 . . . . 0.0 113.386 168.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.76 -42.13 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.839 173.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -77.09 -50.26 13.44 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.919 -1.491 . . . . 0.0 112.989 -169.045 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -99.59 -27.22 13.79 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 125.493 1.746 . . . . 0.0 113.788 -170.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 92.65 68.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 126.198 2.186 . . . . 0.0 110.989 167.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.95 133.63 56.24 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 110.933 -2.849 . . . . 0.0 112.081 -173.192 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.2 -34.37 15.84 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 112.812 -1.994 . . . . 0.0 108.831 159.236 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.47 144.95 36.33 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.824 176.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.451 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 79.0 mt -125.67 128.63 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 110.869 -2.878 . . . . 0.0 106.864 179.256 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.62 141.01 47.71 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.146 -177.08 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.02 121.74 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 110.729 -2.942 . . . . 0.0 106.62 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 112.69 25.22 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.292 178.487 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -100.77 116.62 33.1 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.262 -172.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.94 -38.96 90.44 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 110.914 -2.857 . . . . 0.0 110.276 -177.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 100.34 61.38 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.481 -2.6 . . . . 0.0 112.196 152.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -25.48 23.29 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 110.424 -3.08 . . . . 0.0 109.544 151.441 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -171.08 77.0 0.07 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 114.035 -1.083 . . . . 0.0 110.594 -167.314 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.16 -43.14 9.91 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.594 -168.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -30.41 69.3 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 112.052 -2.074 . . . . 0.0 111.563 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.42 -44.33 41.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.857 -1.52 . . . . 0.0 110.614 -168.797 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -77.19 -31.21 55.23 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.663 -176.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -78.08 -26.43 48.14 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 119.221 -0.992 . . . . 0.0 112.624 -173.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.41 111.7 0.84 Allowed 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.447 1.092 . . . . 0.0 113.073 -162.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.69 37.88 44.42 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.869 175.208 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.66 -25.9 57.2 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 124.783 0.931 . . . . 0.0 112.687 164.821 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 4.4 tmm_? -73.04 -41.66 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 117.213 -1.795 . . . . 0.0 107.363 179.14 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.415 19.6 tt0 -77.27 -25.95 51.95 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 174.474 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.358 13.3 tppt? -76.11 -29.11 57.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 125.264 1.602 . . . . 0.0 113.046 166.172 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.85 -40.44 47.73 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 123.447 1.594 . . . . 0.0 110.705 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.252 3.9 m-20 -72.1 -30.02 64.67 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 110.183 -3.189 . . . . 0.0 111.388 175.792 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.38 -31.24 63.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 112.416 -2.174 . . . . 0.0 112.52 169.604 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 3.13 7.25 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.868 179.036 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.29 19.34 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 124.254 0.972 . . . . 0.0 110.943 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.0 mt -141.06 70.27 1.35 Allowed 'General case' 0 C--N 1.346 0.446 0 CA-C-N 111.925 -2.138 . . . . 0.0 106.799 -178.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 116.85 32.42 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.135 -2.302 . . . . 0.0 109.268 175.406 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.43 -20.47 2.24 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 111.367 -2.651 . . . . 0.0 108.12 -165.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.4 ' CG2' ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -73.98 124.62 31.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 112.472 -1.864 . . . . 0.0 109.05 169.494 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.75 46.27 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.018 165.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 8.3 mt -112.83 136.67 52.2 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 123.531 1.634 . . . . 0.0 112.63 -168.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.92 136.9 46.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 109.713 -3.403 . . . . 0.0 108.869 164.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.21 123.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 112.666 -2.061 . . . . 0.0 107.685 174.719 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.19 24.05 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.363 -177.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.1 45.01 0.83 Allowed Glycine 0 C--N 1.353 1.478 0 CA-C-N 111.884 -2.158 . . . . 0.0 111.585 172.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 69.09 131.01 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 O-C-N 125.444 1.32 . . . . 0.0 109.846 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.12 -55.72 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.899 -162.805 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.7 146.19 14.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 123.533 1.635 . . . . 0.0 108.55 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -106.06 148.23 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 CA-C-N 109.382 -3.554 . . . . 0.0 109.591 -156.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.81 29.24 10.87 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 111.781 -2.463 . . . . 0.0 110.839 -176.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 59.46 35.1 22.81 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.033 -1.584 . . . . 0.0 111.624 -174.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -80.67 125.94 30.65 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.746 -178.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -127.71 146.4 50.58 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 125.448 1.718 . . . . 0.0 111.673 -164.374 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.437 8.2 m-90 27.45 -70.05 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.576 1 C-N-CA 133.069 4.548 . . . . 0.0 118.292 158.808 . . . . . . . . 3 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.93 -48.22 16.82 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-N 119.87 0.989 . . . . 0.0 114.159 170.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.82 -53.35 13.6 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.148 173.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.65 -59.15 4.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 O-C-N 124.821 1.326 . . . . 0.0 111.218 -167.781 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.12 -27.86 66.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.34 -177.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.61 -49.99 75.45 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 117.423 -1.711 . . . . 0.0 111.67 173.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -73.45 -36.89 65.95 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.651 1.22 . . . . 0.0 112.222 -175.067 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.61 -44.94 48.2 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.767 1.292 . . . . 0.0 110.145 -170.696 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -72.86 -28.89 62.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.655 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.15 93.17 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.683 1.239 . . . . 0.0 111.616 175.504 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -80.14 -20.92 43.8 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.518 1.136 . . . . 0.0 111.865 178.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.411 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 161.16 -38.65 0.42 Allowed Glycine 0 C--N 1.36 1.862 0 C-N-CA 117.325 -2.369 . . . . 0.0 115.612 171.647 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -50.99 146.13 6.52 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.651 1.215 . . . . 0.0 113.759 -169.107 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.15 -73.21 0.26 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.038 178.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.175 0.922 . . . . 0.0 110.285 178.547 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.8 t -119.82 125.91 74.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.447 -173.181 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.7 119.26 68.53 Favored Pre-proline 0 C--N 1.362 1.116 0 O-C-N 124.412 1.07 . . . . 0.0 111.881 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.3 176.39 0.81 Allowed 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 121.61 1.54 . . . . 0.0 115.428 170.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.29 123.48 7.75 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 121.151 1.234 . . . . 0.0 110.975 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.52 26.91 10.29 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 113.05 -1.886 . . . . 0.0 112.235 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -84.5 134.53 34.43 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 114.041 -1.079 . . . . 0.0 108.127 173.117 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.433 ' HG ' ' H ' ' A' ' 125' ' ' THR . 10.2 p -62.06 135.4 94.8 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 113.084 -1.871 . . . . 0.0 107.612 166.403 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -61.75 -12.27 24.5 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 N-CA-C 114.658 0.984 . . . . 0.0 114.658 174.57 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -70.61 -29.68 66.14 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.652 1.22 . . . . 0.0 111.66 -176.512 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.433 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.4 m -59.07 -31.9 69.3 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.476 -1.693 . . . . 0.0 113.112 172.624 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.1 m -79.55 -30.87 41.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.782 2.551 . . . . 0.0 108.622 -173.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.6 mt -75.08 -39.08 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.962 178.378 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.8 63.69 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.025 -1.898 . . . . 0.0 110.384 173.02 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -59.67 -55.22 37.17 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 112.998 -1.91 . . . . 0.0 112.07 171.233 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptp -69.59 -28.98 66.41 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.128 0.893 . . . . 0.0 111.942 -173.062 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.34 -57.11 8.17 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.628 1.205 . . . . 0.0 109.369 174.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.35 -35.5 65.3 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.115 -1.402 . . . . 0.0 114.71 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.6 t -70.64 -47.12 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.387 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.6 15.95 8.62 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.536 1.148 . . . . 0.0 112.689 -170.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.1 56.42 5.26 Favored Glycine 0 C--N 1.354 1.557 0 CA-C-O 122.031 0.795 . . . . 0.0 111.748 175.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.63 167.81 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 112.29 -1.955 . . . . 0.0 106.819 -174.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.397 174.904 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 121.835 0.826 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -115.65 -26.88 7.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.558 -2.11 . . . . 0.0 110.079 174.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 166.02 24.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.635 -1.621 . . . . 0.0 110.432 -175.923 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -117.13 127.11 53.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 109.66 -3.427 . . . . 0.0 108.671 -175.172 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.2 m -94.57 131.23 40.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.38 -2.191 . . . . 0.0 107.374 173.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.57 149.35 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 C-N-CA 128.664 2.786 . . . . 0.0 104.856 168.086 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.257 1.3 t -130.06 134.74 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 108.549 -3.932 . . . . 0.0 104.052 -172.016 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 129.62 39.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 125.244 1.59 . . . . 0.0 108.606 172.4 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.16 145.1 16.02 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 168.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.6 t -97.63 120.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 178.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -110.66 137.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.001 -164.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.29 35.28 9.7 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-N 111.423 -2.626 . . . . 0.0 111.22 -173.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -150.59 -175.39 5.09 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.615 -1.792 . . . . 0.0 108.4 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -169.97 32.54 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.381 -2.19 . . . . 0.0 108.362 158.105 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -163.06 -59.42 0.04 OUTLIER 'General case' 0 C--N 1.351 0.666 0 CA-C-N 113.185 -1.825 . . . . 0.0 108.815 -172.393 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -87.55 127.8 35.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.96 -1.927 . . . . 0.0 109.411 -174.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.81 -4.98 32.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.293 -1.776 . . . . 0.0 112.366 -176.267 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p 45.64 47.9 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.781 1.277 . . . . 0.0 112.021 -178.289 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.22 -105.87 3.24 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 112.15 -2.295 . . . . 0.0 109.06 -167.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 64.73 48.21 2.57 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 113.348 -1.426 . . . . 0.0 109.566 -175.345 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -140.8 -35.3 0.49 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 112.143 -2.299 . . . . 0.0 109.498 -174.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 113.69 -1.595 . . . . 0.0 107.42 162.591 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -7.15 48.34 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.702 -2.954 . . . . 0.0 111.431 179.27 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.19 83.81 1.5 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.166 -178.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -169.74 -52.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.154 174.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -81.78 -20.53 39.01 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 125.913 2.008 . . . . 0.0 110.54 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.73 -43.5 62.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.943 172.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -37.37 86.44 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.881 176.179 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -93.85 37.79 1.08 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.858 -1.973 . . . . 0.0 110.707 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.74 17.73 7.4 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.998 165.163 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.52 30.84 79.0 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-N 112.929 -1.941 . . . . 0.0 112.69 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -97.22 152.83 18.46 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 117.686 -1.605 . . . . 0.0 108.13 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -78.62 104.58 9.32 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.377 157.008 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.41 108.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 112.544 -2.116 . . . . 0.0 106.27 -174.432 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.4 t -101.01 110.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.373 -2.194 . . . . 0.0 107.921 -168.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.88 97.91 10.48 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 112.837 -1.983 . . . . 0.0 107.401 176.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.6 -35.23 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.061 -1.882 . . . . 0.0 110.681 -171.022 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.48 171.02 13.04 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.735 -1.575 . . . . 0.0 110.72 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -81.44 118.37 29.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 112.339 -1.93 . . . . 0.0 109.074 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.52 134.61 0.86 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 113.069 -1.878 . . . . 0.0 107.568 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.9 p -87.21 78.56 8.8 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.181 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 132.79 0.14 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.389 1.566 . . . . 0.0 112.979 171.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -50.8 -55.34 17.29 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.584 -3.007 . . . . 0.0 114.524 167.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -64.48 -17.95 64.32 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 118.879 -1.128 . . . . 0.0 111.905 -171.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -73.97 -43.73 57.17 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.441 173.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.3 -39.29 54.57 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.136 1.446 . . . . 0.0 113.107 -175.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.79 -33.49 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 109.96 -3.291 . . . . 0.0 112.809 161.489 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.47 -28.85 65.32 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.057 0.848 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.47 -28.72 63.09 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.684 1.24 . . . . 0.0 110.74 166.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.53 -30.23 66.92 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 116.048 -2.261 . . . . 0.0 113.044 167.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.86 -38.05 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.836 171.508 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.56 -50.39 14.01 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.868 -167.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.4 p -99.86 -27.73 13.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 112.855 -1.975 . . . . 0.0 113.708 -172.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp 89.97 63.88 0.01 OUTLIER 'General case' 0 C--N 1.342 0.269 0 O-C-N 125.81 1.944 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.97 122.65 27.54 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 110.476 -3.056 . . . . 0.0 111.244 -171.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.09 -28.76 63.52 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 126.266 2.228 . . . . 0.0 110.222 173.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.2 144.68 36.71 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.14 177.112 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 32.6 mt -127.0 123.94 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 109.977 -3.283 . . . . 0.0 107.94 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.9 t -115.17 114.86 25.84 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 112.667 -2.061 . . . . 0.0 110.443 -168.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.88 121.91 48.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.065 175.289 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 112.85 24.42 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 111.619 -2.537 . . . . 0.0 107.641 -175.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.8 m -100.63 154.78 18.3 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.987 -165.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.7 mp -93.35 -74.37 0.53 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 111.278 -2.692 . . . . 0.0 108.045 175.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 155.09 154.35 0.01 OUTLIER 'General case' 0 C--N 1.354 0.765 0 C-N-CA 126.941 2.096 . . . . 0.0 107.333 175.113 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -48.11 1.0 Allowed Glycine 0 C--N 1.349 1.299 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.53 -172.931 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -150.58 48.12 0.88 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 113.331 -1.434 . . . . 0.0 108.625 177.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.503 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -78.6 -45.39 9.61 Favored Glycine 0 C--N 1.349 1.302 0 C-N-CA 118.218 -1.944 . . . . 0.0 109.794 171.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -27.91 39.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 110.785 -2.707 . . . . 0.0 111.813 -177.859 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -82.33 -44.52 19.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.46 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.32 -36.18 54.17 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.265 -171.183 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 27.6 p -78.06 -26.36 48.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 114.225 -1.352 . . . . 0.0 113.927 -170.798 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.7 111.95 6.56 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.09 -164.502 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.52 40.18 8.52 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 113.884 -1.507 . . . . 0.0 110.621 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.479 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 11.8 tp -75.38 -25.84 58.0 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 111.033 -2.583 . . . . 0.0 110.459 158.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.884 173.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.357 9.1 tp10 -77.32 -26.17 51.89 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 171.191 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -76.01 -29.45 58.15 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 125.605 1.815 . . . . 0.0 112.79 166.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -77.38 -39.25 47.96 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 125.369 1.668 . . . . 0.0 111.322 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.97 -37.96 75.94 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 109.607 -3.451 . . . . 0.0 108.357 174.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.276 28.2 mm-40 -73.22 -29.81 63.05 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.343 -2.208 . . . . 0.0 112.528 176.67 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -1.16 18.53 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.147 -1.842 . . . . 0.0 112.829 178.668 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.99 43.45 13.94 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 124.23 0.956 . . . . 0.0 110.723 179.109 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.1 mt -146.37 63.23 1.22 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 111.9 -2.15 . . . . 0.0 107.904 -177.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 124.6 47.71 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.619 -2.082 . . . . 0.0 110.66 -176.535 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.5 -27.96 2.58 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 107.475 -2.25 . . . . 0.0 107.475 -175.852 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG21 ' CD2' ' A' ' 88' ' ' LEU . 36.7 mt -66.6 124.86 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 110.538 -2.831 . . . . 0.0 111.376 168.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -95.79 136.53 36.08 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 110.985 -2.825 . . . . 0.0 108.863 177.009 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' CD1' ' HG ' ' A' ' 74' ' ' LEU . 2.1 mt -122.28 137.04 54.98 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.127 -1.851 . . . . 0.0 111.642 -169.461 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -110.04 138.32 46.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 109.357 -3.565 . . . . 0.0 108.942 -178.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.465 HG22 ' SG ' ' A' ' 71' ' ' CYS . 9.8 p -128.27 123.8 60.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.57 171.514 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.96 151.05 20.83 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.202 -168.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.78 -131.64 10.8 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 110.961 -2.619 . . . . 0.0 111.168 166.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -89.32 68.39 7.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 112.364 -1.918 . . . . 0.0 110.204 -165.282 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 pt -97.84 -60.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.811 -159.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.8 p -131.82 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-O 125.419 2.533 . . . . 0.0 113.232 -163.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.19 171.18 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.161 1 CA-C-N 106.359 -4.928 . . . . 0.0 108.482 -165.701 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.73 -35.39 46.38 Favored Glycine 0 CA--C 1.542 1.747 0 CA-C-N 113.547 -1.66 . . . . 0.0 111.757 169.849 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.14 113.7 6.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.819 -1.69 . . . . 0.0 108.243 163.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 74.08 100.86 0.07 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 112.87 -1.968 . . . . 0.0 109.623 -169.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -125.61 130.72 52.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 113.988 -1.46 . . . . 0.0 108.328 173.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.602 3.7 m-90 21.21 -72.77 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.701 0 C-N-CA 130.981 3.713 . . . . 0.0 119.924 -178.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.08 -33.06 20.02 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 115.453 1.29 . . . . 0.0 115.453 171.771 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.15 -47.04 15.37 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.638 174.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.1 t -65.73 -54.24 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.374 -171.094 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.36 -32.35 73.75 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.083 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.19 -50.04 75.57 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 117.468 -1.693 . . . . 0.0 111.829 173.876 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.95 -50.78 15.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.819 1.324 . . . . 0.0 112.658 -169.011 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.09 -38.44 90.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.57 -1.65 . . . . 0.0 109.584 -172.883 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -75.37 -28.5 59.54 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.557 -2.11 . . . . 0.0 112.656 174.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.2 70.17 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 123.948 0.78 . . . . 0.0 112.415 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -66.64 -55.09 16.82 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 117.779 -1.568 . . . . 0.0 109.753 170.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.5 20.04 0.1 OUTLIER Glycine 0 C--N 1.352 1.472 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.363 173.263 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.21 146.25 30.58 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.24 -84.64 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 118.956 -1.098 . . . . 0.0 113.878 -164.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -145.18 155.98 43.6 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 121.619 0.723 . . . . 0.0 111.155 -167.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.78 128.72 75.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.814 -168.074 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -101.56 144.63 28.95 Favored Pre-proline 0 C--N 1.363 1.163 0 O-C-N 124.542 1.151 . . . . 0.0 113.135 168.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.22 176.89 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.071 2.514 . . . . 0.0 115.684 175.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.86 118.34 5.25 Favored 'Trans proline' 0 C--N 1.363 1.304 0 C-N-CA 121.543 1.495 . . . . 0.0 110.903 163.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.85 60.16 1.81 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.654 178.277 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.46 40.34 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.84 -1.68 . . . . 0.0 109.977 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.583 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -49.8 160.93 0.57 Allowed Pre-proline 0 CA--C 1.551 0.982 0 CA-C-N 112.398 -2.183 . . . . 0.0 110.883 159.971 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.04 -18.76 6.09 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 120.985 1.124 . . . . 0.0 112.862 173.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.72 67.44 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.27 -172.089 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.583 ' H ' ' HG ' ' A' ' 122' ' ' SER . 1.4 m -67.2 -36.37 81.57 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.027 178.648 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.69 -33.53 41.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 127.15 2.781 . . . . 0.0 109.599 -175.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 80.5 mt -75.46 -36.26 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 111.77 -2.468 . . . . 0.0 111.279 177.679 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.4 -30.87 63.55 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.956 170.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' THR . 1.1 t70 -58.97 -55.24 37.72 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.266 -2.243 . . . . 0.0 112.012 170.908 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -68.83 -28.8 67.06 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.127 0.892 . . . . 0.0 111.6 -178.02 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.31 -57.25 13.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.22 -34.74 59.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 112.874 -1.966 . . . . 0.0 114.777 -176.218 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.13 -47.09 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.18 -176.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.54 -16.83 60.22 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.732 1.27 . . . . 0.0 110.024 175.326 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.04 64.48 3.24 Favored Glycine 0 C--N 1.357 1.718 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.684 172.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.79 148.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 112.068 -2.066 . . . . 0.0 110.237 -163.245 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 112.852 -1.976 . . . . 0.0 110.139 179.505 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.66 -178.26 6.89 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.047 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.671 ' HZ1' ' HG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -105.91 166.05 10.76 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.76 173.15 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -113.03 119.72 38.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 110.026 -3.261 . . . . 0.0 109.754 -169.451 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.671 ' HG1' ' HZ1' ' A' ' 3' ' ' LYS . 5.1 m -94.48 118.91 32.38 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 111.731 -2.486 . . . . 0.0 107.613 173.442 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.69 149.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.335 2.654 . . . . 0.0 105.058 163.189 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.283 1.0 OUTLIER -130.3 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 CA-C-N 110.235 -3.166 . . . . 0.0 104.522 -171.93 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -132.75 129.3 38.47 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 116.911 -1.916 . . . . 0.0 110.919 170.523 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.92 145.27 15.89 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 167.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.75 120.74 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.718 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -108.8 117.88 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 112.422 -2.172 . . . . 0.0 109.661 -159.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.32 74.69 0.79 Allowed Glycine 0 C--N 1.349 1.277 0 CA-C-N 112.097 -2.32 . . . . 0.0 110.495 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -82.44 82.28 7.95 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.731 -1.734 . . . . 0.0 108.681 172.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.21 91.77 2.66 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.547 -2.569 . . . . 0.0 109.495 -177.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t 86.92 -54.87 0.05 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.485 -2.143 . . . . 0.0 110.784 -176.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -131.64 151.37 51.67 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 113.81 -1.541 . . . . 0.0 109.084 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -4.17 53.94 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.598 175.134 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t 53.04 52.37 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.933 0 O-C-N 124.917 1.386 . . . . 0.0 109.972 -177.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.1 -128.07 25.12 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 112.235 -2.257 . . . . 0.0 109.722 -169.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 60.83 17.07 7.37 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 112.892 -1.654 . . . . 0.0 113.086 172.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -93.48 -48.85 6.19 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.346 -170.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.39 79.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.58 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 166.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.12 45.12 2.54 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 111.804 -2.453 . . . . 0.0 107.568 175.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -96.37 57.11 1.64 Allowed 'General case' 0 C--N 1.352 0.714 0 CA-C-N 111.718 -2.492 . . . . 0.0 107.873 171.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -114.5 -47.97 2.89 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 111.983 -2.372 . . . . 0.0 108.292 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 m -75.84 146.53 39.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.799 168.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 85.98 -41.05 0.04 OUTLIER 'General case' 0 C--N 1.351 0.669 0 CA-C-N 111.489 -2.596 . . . . 0.0 109.211 -178.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -26.62 67.69 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 112.378 -2.192 . . . . 0.0 109.747 162.195 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.61 -6.07 13.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.914 -2.403 . . . . 0.0 111.985 171.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.66 11.21 13.62 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 123.988 0.805 . . . . 0.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.36 74.7 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.438 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.56 161.32 27.96 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 116.234 -2.186 . . . . 0.0 109.594 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -79.22 103.9 9.47 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 114.722 -2.791 . . . . 0.0 104.437 154.65 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . 0.303 0.3 OUTLIER -128.03 137.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 112.686 -2.052 . . . . 0.0 110.649 -178.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.12 110.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 112.073 -2.331 . . . . 0.0 108.557 -162.069 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -85.84 123.32 31.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.536 1.16 . . . . 0.0 108.787 176.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 pp -97.09 -35.63 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 111.313 -2.676 . . . . 0.0 111.071 -160.278 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.42 140.03 2.78 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.443 -176.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 130.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.092 -2.054 . . . . 0.0 106.56 159.503 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.27 89.62 0.1 Allowed 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.78 -175.288 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 157.03 24.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.265 -2.698 . . . . 0.0 107.738 -172.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.562 ' HG ' ' H ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -111.16 174.68 5.75 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.963 -1.926 . . . . 0.0 109.049 -179.727 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -47.85 -43.16 28.0 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 112.644 -2.071 . . . . 0.0 112.583 -178.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.562 ' H ' ' HG ' ' A' ' 42' ' ' SER . 3.0 mp0 -62.21 -22.35 65.86 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 124.866 1.354 . . . . 0.0 112.791 -173.806 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -83.04 -40.44 19.92 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.763 1.289 . . . . 0.0 112.043 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -34.11 58.69 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 123.187 1.47 . . . . 0.0 112.005 -177.15 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mt -49.75 -49.49 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 109.58 -3.464 . . . . 0.0 110.682 159.086 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -70.32 -28.88 65.52 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.651 1.22 . . . . 0.0 112.25 -169.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -28.8 61.35 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.527 1.142 . . . . 0.0 111.564 171.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.7 -30.42 59.3 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 116.661 -2.016 . . . . 0.0 112.536 171.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.9 -36.49 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.221 174.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.04 -50.49 12.99 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.89 -171.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 p -103.08 -20.14 14.29 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 125.736 1.898 . . . . 0.0 115.418 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 97.74 54.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 125.748 1.905 . . . . 0.0 111.303 165.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' HA ' ' HB ' ' A' ' 5' ' ' THR . . . -80.99 123.1 28.07 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 112.432 -2.167 . . . . 0.0 112.581 -169.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -89.91 -14.96 33.08 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.679 -2.055 . . . . 0.0 109.138 167.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.253 2.3 pt? -139.95 144.75 37.22 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.193 1.949 . . . . 0.0 112.85 171.751 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 77.0 mt -130.81 107.91 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 108.547 -3.933 . . . . 0.0 107.452 -176.551 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.82 114.47 28.7 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.605 -179.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.3 m -106.42 148.25 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.992 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -107.65 128.84 54.91 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.497 164.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.7 m -100.61 118.24 36.37 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.363 1.665 . . . . 0.0 107.218 172.768 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt -77.72 -33.89 52.89 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 112.173 -2.285 . . . . 0.0 109.59 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.8 t80 94.77 154.44 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.144 171.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.32 -39.92 2.61 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 110.932 -2.849 . . . . 0.0 107.537 -155.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -151.21 49.17 0.84 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-N 113.26 -1.47 . . . . 0.0 109.877 174.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.03 -45.26 8.4 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 117.384 -2.341 . . . . 0.0 111.156 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -28.37 38.94 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 113.844 -1.178 . . . . 0.0 110.635 178.778 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.84 -44.18 76.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.946 -174.117 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.25 -56.11 4.84 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.551 177.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 68.0 m -66.89 -30.94 71.23 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.328 -1.306 . . . . 0.0 113.774 -164.0 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -57.53 114.01 2.05 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.303 1.002 . . . . 0.0 112.186 -174.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.21 58.39 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.759 177.425 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 tp -75.62 -26.51 57.87 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.794 0.938 . . . . 0.0 111.461 160.539 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.75 82.24 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.164 174.13 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.426 13.8 tp10 -77.67 -26.47 50.35 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 118.258 2.688 . . . . 0.0 118.258 178.728 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.306 44.1 tttp -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 125.349 1.655 . . . . 0.0 113.128 168.08 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 91.3 m -77.38 -40.55 43.37 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 123.254 1.502 . . . . 0.0 111.519 175.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -63.73 -42.09 97.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 110.242 -3.163 . . . . 0.0 108.006 173.001 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.279 32.4 mt-10 -73.14 -29.7 63.06 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 112.143 -2.299 . . . . 0.0 112.674 -178.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.72 5.13 4.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.813 -177.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.86 42.74 8.04 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.908 172.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.65 -128.9 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 CA-C-N 112.37 -1.915 . . . . 0.0 106.188 173.689 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' C ' ' H ' ' A' ' 86' ' ' ILE 0.253 0.9 OUTLIER -85.36 -170.61 3.21 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 123.655 1.693 . . . . 0.0 111.06 -172.909 . . . . . . . . 4 4 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.07 56.59 2.14 Favored Glycine 0 N--CA 1.44 -1.1 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 150.038 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.51 ' H ' ' C ' ' A' ' 84' ' ' LYS 0.261 2.0 tt -63.64 127.17 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 109.649 -3.276 . . . . 0.0 110.184 -161.635 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -87.75 116.78 26.14 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 109.579 -3.464 . . . . 0.0 106.572 -175.48 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.82 143.67 42.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 123.978 1.847 . . . . 0.0 108.804 -172.182 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -107.37 134.78 49.93 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 108.845 -3.798 . . . . 0.0 104.963 175.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.23 123.52 33.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 113.215 -1.811 . . . . 0.0 106.248 178.143 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.53 152.07 20.34 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.152 -163.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.47 -148.5 17.52 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 112.318 -1.941 . . . . 0.0 109.308 179.2 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.6 99.67 11.29 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 169.21 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.91 -18.8 6.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.047 -164.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.29 -156.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 161.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.3 t -56.84 144.12 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.971 -174.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.84 157.29 2.4 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 111.961 -2.382 . . . . 0.0 112.93 179.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 72.21 -159.09 0.11 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 112.549 -1.825 . . . . 0.0 108.963 -172.343 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 77.6 123.87 0.04 OUTLIER 'General case' 0 C--N 1.349 0.562 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.824 177.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -100.22 49.77 0.91 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.046 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 43.85 56.25 12.73 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 111.725 -2.489 . . . . 0.0 117.633 -177.793 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -82.29 -52.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-O 122.755 1.065 . . . . 0.0 110.375 151.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.34 -38.46 30.49 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.845 -2.434 . . . . 0.0 112.324 -164.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.09 -45.67 26.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 113.451 -1.704 . . . . 0.0 110.44 -157.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -74.27 -31.45 62.54 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.326 170.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.42 -43.52 68.04 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 117.735 -1.586 . . . . 0.0 112.003 172.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -50.07 12.77 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.125 -175.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -72.79 -43.38 62.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.222 -172.055 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -66.29 -28.65 68.86 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.233 175.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.59 -27.99 69.62 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 124.027 0.829 . . . . 0.0 112.854 173.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.24 -42.2 93.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.266 169.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.47 11.81 0.53 Allowed Glycine 0 CA--C 1.537 1.46 0 CA-C-N 112.775 -2.012 . . . . 0.0 112.616 171.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.14 140.78 58.9 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 122.456 1.122 . . . . 0.0 109.343 177.089 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.66 -60.96 2.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.837 -2.438 . . . . 0.0 110.035 -173.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -145.18 156.23 43.74 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.507 -1.678 . . . . 0.0 109.537 -174.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.7 t -123.04 128.62 75.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 112.937 -1.938 . . . . 0.0 110.026 176.193 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -89.31 145.91 35.01 Favored Pre-proline 0 C--N 1.357 0.91 0 O-C-N 124.775 1.297 . . . . 0.0 111.207 171.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -57.48 179.79 0.13 Allowed 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.78 2.32 . . . . 0.0 113.61 177.5 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -80.78 116.81 3.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 120.919 1.079 . . . . 0.0 110.15 168.364 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.64 69.44 1.39 Allowed Glycine 0 C--N 1.351 1.41 0 CA-C-N 113.32 -1.764 . . . . 0.0 111.407 179.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 137.48 40.35 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.255 -1.973 . . . . 0.0 111.105 -173.466 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.588 ' HG ' ' H ' ' A' ' 125' ' ' THR . 1.0 OUTLIER -50.31 157.18 1.24 Allowed Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 112.307 -2.224 . . . . 0.0 110.92 161.777 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.08 -14.65 8.41 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 120.94 1.093 . . . . 0.0 113.175 173.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -29.94 66.48 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.42 -175.111 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.588 ' H ' ' HG ' ' A' ' 122' ' ' SER . 0.7 OUTLIER -68.36 -36.99 80.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.134 177.863 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 m -79.47 -31.32 42.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 126.365 2.29 . . . . 0.0 109.607 -171.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.18 -42.85 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 O-C-N 126.742 2.526 . . . . 0.0 110.107 178.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.84 63.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.821 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -65.24 -49.74 68.48 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 126.36 2.287 . . . . 0.0 113.479 170.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -69.66 -28.95 66.32 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.374 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -70.86 -52.31 21.06 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.099 -177.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.09 -57.24 13.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 117.582 -1.647 . . . . 0.0 113.826 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.24 -30.33 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.236 -2.256 . . . . 0.0 114.278 -169.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt -93.93 -12.12 29.5 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 124.07 0.856 . . . . 0.0 111.153 -177.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.23 80.22 1.36 Allowed Glycine 0 C--N 1.352 1.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.491 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -149.01 155.8 8.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 112.159 -2.021 . . . . 0.0 107.037 -175.101 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.541 0.631 0 CA-C-N 112.955 -1.929 . . . . 0.0 109.288 -178.568 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtt . . . . . 0 CA--C 1.54 0.566 0 CA-C-O 121.721 0.772 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -69.3 -39.87 78.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.593 -1.639 . . . . 0.0 109.334 172.375 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -105.86 165.33 11.26 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 111.34 -2.664 . . . . 0.0 107.579 171.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -92.04 109.92 21.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.824 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -79.94 137.74 36.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 111.02 -2.809 . . . . 0.0 107.214 172.701 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.82 149.06 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 CA-C-O 124.484 2.088 . . . . 0.0 105.52 168.267 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.352 3.9 t -130.52 116.58 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.207 1 CA-C-N 107.782 -4.281 . . . . 0.0 104.113 -175.739 . . . . . . . . 3 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.03 128.93 44.63 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 116.812 -1.955 . . . . 0.0 109.952 177.636 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.98 145.63 16.01 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 111.467 -2.606 . . . . 0.0 109.757 177.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 p -97.89 120.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 125.181 1.166 . . . . 0.0 108.472 170.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -113.08 136.37 49.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 111.557 -2.565 . . . . 0.0 111.503 -160.704 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.12 4.46 81.52 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 110.821 -2.899 . . . . 0.0 112.304 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -109.72 17.53 21.16 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 112.938 -1.631 . . . . 0.0 112.476 -158.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 69.1 -120.84 0.14 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.623 1.202 . . . . 0.0 110.517 168.735 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -124.53 50.48 1.7 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.613 168.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -143.13 104.51 4.3 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.872 -1.967 . . . . 0.0 108.571 -178.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 89.99 8.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.227 -177.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.57 -53.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 113.039 -1.891 . . . . 0.0 110.374 -175.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.87 -30.11 75.65 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 111.842 -2.436 . . . . 0.0 112.911 -175.329 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.06 -42.43 65.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 112.957 -1.622 . . . . 0.0 112.942 -177.449 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.489 1.118 . . . . 0.0 113.286 -171.723 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -72.38 -35.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 124.271 0.982 . . . . 0.0 108.718 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.1 mt -115.19 43.27 2.04 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 112.154 -2.293 . . . . 0.0 109.165 -173.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -157.69 82.62 0.88 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 112.925 -1.943 . . . . 0.0 108.243 174.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -58.7 -49.27 78.2 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 125.006 2.336 . . . . 0.0 108.042 159.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' HG ' ' H ' ' A' ' 27' ' ' PHE . 63.0 p 179.39 -66.52 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 106.399 -4.91 . . . . 0.0 102.868 -176.305 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.401 ' H ' ' HG ' ' A' ' 26' ' ' SER . 7.7 m-85 75.75 -58.03 0.56 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 126.569 2.418 . . . . 0.0 106.124 -168.87 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -44.94 11.37 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 112.303 165.408 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 30.6 t30 -105.63 12.51 31.07 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 125.066 1.479 . . . . 0.0 110.861 -175.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.9 3.36 34.28 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 117.873 -1.531 . . . . 0.0 110.005 153.189 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.49 80.65 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.363 -174.164 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.89 145.61 25.44 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.97 104.68 9.78 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 179.493 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 80.8 t -127.26 140.59 48.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 124.872 1.357 . . . . 0.0 109.715 -166.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.4 t -132.92 110.91 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 110.812 -2.904 . . . . 0.0 106.772 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -85.84 114.17 22.56 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.556 179.175 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.5 mt -68.95 -15.39 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.922 179.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.75 -173.58 45.48 Favored Glycine 0 C--N 1.357 1.708 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -176.137 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -80.95 118.98 29.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.139 169.112 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -162.35 145.88 11.69 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 110.674 -2.966 . . . . 0.0 108.198 172.227 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.7 m -109.03 59.55 0.6 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 111.717 -2.492 . . . . 0.0 109.205 -174.079 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.534 ' HG ' ' H ' ' A' ' 45' ' ' ASP . 0.7 OUTLIER -159.87 123.51 3.66 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 112.655 -2.066 . . . . 0.0 110.999 -177.598 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.15 -28.75 3.12 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 111.609 -2.542 . . . . 0.0 113.334 163.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.083 0.864 . . . . 0.0 113.191 -171.592 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.534 ' H ' ' HG ' ' A' ' 42' ' ' SER . 38.2 t0 -84.08 -27.94 27.9 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.519 -179.033 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -33.63 59.29 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.783 1.278 . . . . 0.0 113.099 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.79 -48.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 111.012 -2.813 . . . . 0.0 110.23 158.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -72.89 -29.14 62.93 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.186 1.554 . . . . 0.0 113.262 -164.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.22 -28.66 61.36 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.603 170.05 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.22 65.37 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 116.621 -2.031 . . . . 0.0 112.98 167.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -67.09 -40.99 86.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.81 173.232 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.96 -50.27 15.39 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.924 -167.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 p -102.19 -27.76 12.69 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 125.685 1.866 . . . . 0.0 114.511 -172.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 86.54 72.74 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.218 0 O-C-N 125.982 2.051 . . . . 0.0 109.546 177.176 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 133.51 55.2 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 109.92 -3.309 . . . . 0.0 110.222 176.498 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.99 -28.5 19.07 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.316 -1.766 . . . . 0.0 108.407 163.092 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 2.6 pt? -140.6 145.02 36.13 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.879 173.382 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.517 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 45.5 mt -121.48 127.96 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 112.522 -2.126 . . . . 0.0 107.592 173.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.1 114.89 25.92 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.168 -175.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.41 121.95 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 112.244 -2.253 . . . . 0.0 107.85 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -110.41 112.81 24.99 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.833 -174.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -135.12 164.44 27.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 124.604 2.145 . . . . 0.0 113.1 -172.619 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.98 -6.57 12.55 Favored 'General case' 0 N--CA 1.444 -0.773 1 CA-C-N 107.901 -4.227 . . . . 0.0 110.322 -168.08 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.4 t80 71.5 31.16 2.33 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.257 -156.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.88 -49.67 46.81 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.671 -2.513 . . . . 0.0 108.12 161.848 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -164.27 58.85 0.15 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-N 111.293 -2.454 . . . . 0.0 107.565 177.251 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.23 -45.6 8.75 Favored Glycine 0 C--N 1.353 1.51 0 C-N-CA 116.781 -2.628 . . . . 0.0 110.914 -174.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.29 -33.71 37.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.624 -0.788 . . . . 0.0 110.806 173.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.79 -44.52 45.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 113.538 -1.664 . . . . 0.0 110.576 -163.248 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -77.74 -56.29 4.64 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.417 1.073 . . . . 0.0 112.296 168.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.5 m -72.68 -25.95 61.44 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 118.468 -1.293 . . . . 0.0 113.397 -154.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.53 113.57 3.78 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.126 -1.03 . . . . 0.0 110.231 178.328 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.66 33.77 37.13 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.148 -176.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.36 -25.79 58.01 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 125.29 1.229 . . . . 0.0 109.481 152.158 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -53.65 -57.04 12.21 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 124.652 1.22 . . . . 0.0 109.907 167.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.463 11.1 pt-20 -77.27 -25.67 51.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.323 70.7 mmtt -76.16 -29.41 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 125.09 1.494 . . . . 0.0 113.756 168.641 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.9 t -76.19 -42.81 45.15 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.811 1.767 . . . . 0.0 109.47 174.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.253 5.5 m-20 -72.31 -27.85 62.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 109.766 -3.379 . . . . 0.0 111.8 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.291 17.3 mm-40 -73.52 -32.98 64.53 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.624 -2.08 . . . . 0.0 112.293 169.84 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 5.96 3.77 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.905 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.71 34.91 33.46 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.813 175.531 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.2 mt -136.77 59.01 1.71 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.059 -2.07 . . . . 0.0 107.287 -175.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -94.06 112.4 24.22 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.034 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.31 -23.24 1.09 Allowed Glycine 0 C--N 1.343 0.971 0 CA-C-N 111.131 -2.758 . . . . 0.0 108.333 -166.856 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -69.76 124.75 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 112.309 -1.945 . . . . 0.0 109.451 167.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.34 135.85 33.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.581 -3.009 . . . . 0.0 107.352 160.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 23.6 mt -110.0 134.03 52.56 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.9 1.333 . . . . 0.0 111.181 -178.048 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -107.72 136.21 47.84 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.066 -2.788 . . . . 0.0 105.726 166.122 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.12 123.55 34.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.691 -1.595 . . . . 0.0 107.254 177.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.6 144.78 16.81 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.376 -172.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.47 -148.62 19.03 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.571 -1.814 . . . . 0.0 110.013 179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -92.73 74.8 4.98 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.384 -1.908 . . . . 0.0 106.486 165.227 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.8 pt -73.81 -15.77 16.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.381 -2.191 . . . . 0.0 112.207 -165.489 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p -133.63 -170.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 173.048 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.3 p -64.99 97.66 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 111.454 -2.612 . . . . 0.0 110.636 -172.012 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.23 -106.08 1.32 Allowed Glycine 0 C--N 1.357 1.725 0 CA-C-N 111.716 -2.493 . . . . 0.0 109.155 -161.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' HZ2' ' CD ' ' A' ' 119' ' ' PRO . 0.0 OUTLIER -144.18 128.18 17.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.875 -2.162 . . . . 0.0 106.759 158.565 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -72.58 -3.16 23.03 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.708 -2.042 . . . . 0.0 111.852 178.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.4 m120 74.74 108.1 0.07 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.872 2.069 . . . . 0.0 110.318 178.01 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.402 2.5 m-90 5.31 -70.09 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.781 0 N-CA-C 119.603 3.186 . . . . 0.0 119.603 179.149 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.56 -33.09 29.67 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 115.667 1.372 . . . . 0.0 115.667 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.2 -45.97 17.13 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 112.981 -1.918 . . . . 0.0 112.374 175.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.66 -51.98 45.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 O-C-N 124.584 1.177 . . . . 0.0 110.659 -171.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.51 -38.54 87.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 113.415 -1.721 . . . . 0.0 112.056 175.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.45 -38.58 87.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 118.423 -1.311 . . . . 0.0 112.365 175.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -74.57 -53.24 9.79 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.455 -170.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -75.12 -45.87 38.17 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.214 -172.33 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.84 -28.8 64.87 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.059 -174.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.534 1.146 . . . . 0.0 111.387 173.76 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.3 ptm -79.55 1.63 25.18 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.565 1.166 . . . . 0.0 113.091 177.146 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 138.49 -25.14 2.87 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 124.307 1.004 . . . . 0.0 114.144 159.708 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -52.52 143.62 15.22 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 122.582 1.182 . . . . 0.0 112.362 -170.109 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.67 -61.98 1.56 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 112.035 -2.348 . . . . 0.0 109.054 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -145.37 156.21 43.64 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.731 1.269 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.6 t -107.28 113.96 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 111.376 -2.647 . . . . 0.0 109.05 176.335 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -97.84 147.16 32.66 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 113.211 -1.813 . . . . 0.0 109.776 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.59 179.05 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 121.823 1.682 . . . . 0.0 114.336 176.944 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.466 ' CD ' ' HZ2' ' A' ' 98' ' ' LYS . 94.5 Cg_endo -86.3 124.27 2.39 Favored 'Trans proline' 0 C--N 1.362 1.239 0 C-N-CA 122.218 1.945 . . . . 0.0 108.937 160.225 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.25 42.9 7.74 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 113.45 -1.704 . . . . 0.0 111.416 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 137.37 41.42 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 112.793 -1.704 . . . . 0.0 108.992 171.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.548 ' HG ' ' H ' ' A' ' 125' ' ' THR . 0.0 OUTLIER -58.39 128.81 83.2 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.624 159.92 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -77.92 -10.37 16.76 Favored 'Trans proline' 0 C--N 1.355 0.897 0 N-CA-C 114.938 1.092 . . . . 0.0 114.938 -178.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.274 0.984 . . . . 0.0 110.357 176.89 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.548 ' H ' ' HG ' ' A' ' 122' ' ' SER . 3.5 m -61.15 -33.51 73.53 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.873 -1.512 . . . . 0.0 113.021 173.003 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.27 -32.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 125.37 1.669 . . . . 0.0 108.708 -172.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.0 -40.44 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.826 -177.038 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.03 63.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.298 -1.773 . . . . 0.0 110.988 171.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.272 10.4 t70 -74.25 -28.93 61.46 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 117.294 -1.763 . . . . 0.0 113.537 175.764 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 14.1 ptp -77.94 -29.0 49.7 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.393 174.022 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -57.03 9.65 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.463 -1.295 . . . . 0.0 108.856 173.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -49.73 -43.47 47.82 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 113.021 -1.9 . . . . 0.0 114.952 177.047 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.81 -39.68 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.978 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.26 27.46 5.15 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.17 0.919 . . . . 0.0 111.814 -169.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.02 54.02 7.4 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.473 172.564 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.73 159.12 4.68 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 112.83 -1.685 . . . . 0.0 106.999 -176.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 CA--C 1.549 0.93 0 O-C-N 124.771 1.295 . . . . 0.0 111.176 175.362 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -91.75 109.99 21.32 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.823 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 10.5 m -99.71 130.64 45.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 111.638 -2.528 . . . . 0.0 107.079 166.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -106.54 144.29 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 164.178 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.332 2.5 t -130.27 116.36 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 CA-C-N 110.553 -3.021 . . . . 0.0 103.786 -176.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 129.07 55.31 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 118.331 -1.347 . . . . 0.0 108.614 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.552 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.13 145.71 16.0 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.323 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.19 120.67 46.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.864 -1.935 . . . . 0.0 105.88 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -96.8 129.18 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 110.787 -2.915 . . . . 0.0 108.589 -158.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.223 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.404 178.264 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 C--O 1.219 -0.504 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -63.57 -43.32 97.37 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 125.106 1.504 . . . . 0.0 111.93 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -75.36 -36.9 60.89 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.724 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.99 84.97 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.868 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -67.56 -20.45 65.4 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 111.886 -2.416 . . . . 0.0 112.604 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 6.13 16.81 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.737 0.648 . . . . 0.0 110.856 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 17.73 76.27 Favored Glycine 0 C--N 1.353 1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.007 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -96.01 151.15 19.7 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 117.511 -1.676 . . . . 0.0 108.012 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.98 109.76 12.32 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 164.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.69 109.04 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.79 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.93 114.08 27.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 111.186 -2.734 . . . . 0.0 107.451 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -85.87 103.55 14.71 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.514 -1.676 . . . . 0.0 107.223 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 7' ' ' VAL . 27.0 mt -68.96 -24.64 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 111.938 -2.392 . . . . 0.0 110.437 -173.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.53 149.66 8.97 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.784 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.7 t -80.95 131.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 113.734 -1.233 . . . . 0.0 107.712 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp 64.41 106.75 0.03 OUTLIER 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.61 1.819 . . . . 0.0 108.774 -161.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -162.44 141.93 9.4 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.465 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.645 -2.071 . . . . 0.0 109.046 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.598 ' HB3' HD13 ' A' ' 74' ' ' LEU . 18.1 mt-30 -63.43 -28.5 70.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 113.416 -1.72 . . . . 0.0 114.631 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.99 -14.69 63.17 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 117.614 -1.634 . . . . 0.0 112.162 173.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -84.1 -29.57 26.67 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 124.187 0.93 . . . . 0.0 111.575 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -75.86 -43.23 46.68 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 123.513 1.625 . . . . 0.0 111.089 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.83 -39.66 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 109.579 -3.464 . . . . 0.0 111.205 162.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.81 -33.65 68.69 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.437 1.086 . . . . 0.0 111.641 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.951 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.66 -28.99 68.18 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 116.75 -1.595 . . . . 0.0 110.809 169.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -76.48 -30.61 57.35 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.7 -1.2 . . . . 0.0 113.448 174.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.07 -37.46 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.032 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -73.91 -50.91 17.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.958 -173.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 2.4 t -87.39 -45.07 10.88 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.658 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 53' ' ' THR . 53.1 mtpt 90.6 78.45 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.881 -159.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.37 133.94 51.52 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 112.337 -2.21 . . . . 0.0 108.867 175.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.34 -28.01 19.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.967 0.792 . . . . 0.0 110.112 161.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 134' ' ' LEU 0.269 2.4 pt? -140.5 145.08 36.4 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.397 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 88' ' ' LEU . 52.6 mt -132.07 115.93 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.345 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.79 141.16 31.13 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 111.333 -2.667 . . . . 0.0 110.166 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 46' ' ' PHE . 3.0 m -115.57 141.53 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.685 166.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.27 112.98 23.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.3 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -104.35 125.79 50.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 113.972 -1.467 . . . . 0.0 108.044 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.353 0.738 0 O-C-N 124.582 1.176 . . . . 0.0 110.047 -176.734 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 121.808 0.671 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.8 -30.98 66.1 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.406 -1.897 . . . . 0.0 111.751 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.51 -44.45 98.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.864 -165.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -77.65 -52.05 9.63 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.544 1.152 . . . . 0.0 112.101 164.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.6 p -66.66 -27.61 67.8 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -149.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.87 114.85 1.17 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 125.192 1.557 . . . . 0.0 112.528 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.29 36.19 18.29 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 112.215 -2.266 . . . . 0.0 112.346 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 43' ' ' GLN . 27.7 tp -75.47 -25.9 57.77 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.02 1.071 . . . . 0.0 111.777 156.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -66.26 -41.25 90.19 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 117.184 -1.806 . . . . 0.0 108.391 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.431 2.4 tm-20 -77.45 -26.19 51.26 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 174.003 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.33 17.2 ttpp -76.0 -28.82 57.94 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.024 1.453 . . . . 0.0 112.997 167.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 58' ' ' ILE . 86.9 m -77.1 -38.04 53.11 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 125.275 1.61 . . . . 0.0 110.163 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.97 -45.04 91.51 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 110.492 -3.049 . . . . 0.0 110.017 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.349 1.6 pt-20 -73.28 -29.91 63.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 109.583 -3.462 . . . . 0.0 113.039 -178.632 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -0.43 16.07 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 112.784 -2.007 . . . . 0.0 112.801 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.99 41.95 21.22 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 122.678 1.154 . . . . 0.0 110.307 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 50' ' ' ALA . 18.4 mt -145.17 48.3 1.29 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.234 -2.483 . . . . 0.0 107.342 -174.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.16 125.47 35.95 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.402 -2.181 . . . . 0.0 109.687 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.33 -29.9 2.57 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.6 mp -67.46 124.68 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 111.685 -2.257 . . . . 0.0 111.102 173.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' C ' HD23 ' A' ' 88' ' ' LEU . 49.5 mtmt -98.14 135.53 39.66 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 109.017 -3.72 . . . . 0.0 108.325 170.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.0 mt -110.02 148.29 31.95 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.278 1.513 . . . . 0.0 110.948 -172.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -107.69 145.43 33.42 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 109.924 -3.307 . . . . 0.0 106.851 168.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.12 123.71 34.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 113.122 -1.854 . . . . 0.0 107.353 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.15 22.27 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.657 -1.611 . . . . 0.0 111.5 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 113.06 -141.32 16.85 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 112.235 -1.983 . . . . 0.0 110.733 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -82.57 71.93 9.64 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.952 -1.624 . . . . 0.0 108.302 171.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -68.71 -35.78 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-N 110.254 -3.157 . . . . 0.0 111.254 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.346 0.423 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 171.063 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.334 1.6 m-90 . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.85 -40.5 84.79 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 120.278 1.135 . . . . 0.0 114.764 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -80.05 -36.67 35.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.635 -2.075 . . . . 0.0 111.949 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -76.25 -44.94 36.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.974 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.62 -27.91 61.53 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 114.049 -1.432 . . . . 0.0 111.155 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.26 -34.51 75.28 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 118.938 -1.105 . . . . 0.0 111.195 168.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -53.09 24.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -72.71 -45.63 57.75 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.906 -1.952 . . . . 0.0 112.088 -167.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.65 -28.83 68.05 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.25 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.38 84.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.257 0.973 . . . . 0.0 111.726 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 82.8 mmm -74.06 -35.98 64.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.583 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.12 -17.05 3.19 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 113.817 -1.538 . . . . 0.0 112.99 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -60.39 115.73 3.77 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.032 0.92 . . . . 0.0 109.598 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.99 -38.97 63.98 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 112.253 -2.248 . . . . 0.0 111.498 -165.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -133.83 139.13 46.06 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.195 -1.82 . . . . 0.0 109.484 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.3 t -123.22 113.8 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.313 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -90.77 142.45 27.74 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.829 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -63.66 -177.11 0.38 Allowed 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.08 1.854 . . . . 0.0 113.738 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.49 122.77 2.45 Favored 'Trans proline' 0 C--N 1.362 1.246 0 C-N-CA 121.866 1.711 . . . . 0.0 110.493 167.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.28 55.91 2.8 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.874 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.1 137.37 37.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.143 -2.028 . . . . 0.0 108.902 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -54.62 141.28 55.95 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 113.205 -1.816 . . . . 0.0 109.157 162.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.25 -9.82 17.67 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 122.686 0.835 . . . . 0.0 112.548 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.92 71.16 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.361 1.038 . . . . 0.0 111.275 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -71.14 -37.24 72.27 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.209 176.19 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 m -79.5 -32.11 42.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 126.38 2.3 . . . . 0.0 109.296 -170.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.21 -41.99 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 126.415 2.322 . . . . 0.0 110.135 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.99 63.82 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.129 -1.851 . . . . 0.0 110.523 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.2 t0 -63.91 -55.05 25.53 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.335 171.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.9 ptp -65.19 -29.34 70.15 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.85 -57.07 6.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 118.709 -1.197 . . . . 0.0 109.88 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.43 -35.18 69.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.901 -1.5 . . . . 0.0 114.545 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.29 -42.75 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.919 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.587 HD11 HD22 ' A' ' 57' ' ' LEU . 27.8 mt -99.79 23.91 9.07 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.322 1.013 . . . . 0.0 112.024 -166.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.67 52.64 6.37 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.223 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -148.68 160.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 112.726 -1.737 . . . . 0.0 106.743 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.548 0.901 0 O-C-N 124.719 1.262 . . . . 0.0 111.232 174.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -104.09 109.77 21.69 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 123.087 1.423 . . . . 0.0 109.449 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -90.74 129.51 36.82 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 109.986 -3.279 . . . . 0.0 106.369 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.47 HG12 HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -127.83 137.9 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 C-N-CA 126.676 1.99 . . . . 0.0 106.017 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 37' ' ' ILE 0.299 16.7 t -130.26 116.57 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.902 0 CA-C-N 109.223 -3.626 . . . . 0.0 104.931 -170.739 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -126.38 128.49 47.12 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 117.426 -1.71 . . . . 0.0 110.908 -176.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.48 146.15 16.1 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 110.474 -3.057 . . . . 0.0 112.273 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 t -97.35 120.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 C-N-CA 116.984 -1.886 . . . . 0.0 106.245 160.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -96.43 144.17 10.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 111.807 -2.451 . . . . 0.0 107.714 -165.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.061 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 -163.311 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m170 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 120.38 0.133 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -55.91 -41.5 74.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.976 1.423 . . . . 0.0 113.631 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.05 -39.07 61.2 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.238 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -31.15 72.25 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.506 -2.133 . . . . 0.0 110.423 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -80.06 -20.7 44.62 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 112.005 -2.361 . . . . 0.0 112.075 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 2.33 49.0 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.948 0.78 . . . . 0.0 110.524 -168.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.32 77.05 Favored Glycine 0 C--N 1.355 1.599 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.837 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -85.04 157.11 20.83 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.206 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -80.99 104.84 11.77 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 116.123 -2.231 . . . . 0.0 106.318 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 6' ' ' ILE . 12.0 t -127.23 115.93 42.42 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 124.969 1.418 . . . . 0.0 111.988 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.97 110.8 22.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 111.294 -2.684 . . . . 0.0 106.677 159.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -93.43 105.18 17.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.421 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 7' ' ' VAL . 2.6 mt -68.87 -31.26 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.239 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.16 -163.29 50.5 Favored Glycine 0 C--N 1.356 1.64 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.023 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.92 170.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 112.783 -1.709 . . . . 0.0 108.959 174.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? 60.78 73.57 0.48 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -174.41 160.71 3.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 111.162 -2.745 . . . . 0.0 108.062 -167.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 m -153.14 173.41 15.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.916 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -52.31 -28.93 21.07 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -164.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.93 -39.04 73.75 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 124.878 1.361 . . . . 0.0 112.106 173.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.39 -33.33 58.87 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.173 -1.831 . . . . 0.0 112.414 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.584 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.24 -35.22 59.09 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 123.508 1.623 . . . . 0.0 112.67 -177.093 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -49.94 -45.32 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-N 110.153 -3.203 . . . . 0.0 111.169 159.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -75.04 -28.96 60.65 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.764 1.29 . . . . 0.0 112.789 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 7' ' ' VAL . . . -74.19 -28.5 61.31 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.01 0.819 . . . . 0.0 110.536 168.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.27 65.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 117.289 -1.765 . . . . 0.0 113.101 165.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.46 -41.81 86.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.665 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -75.24 -50.31 16.54 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.805 -168.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -101.64 -24.91 14.04 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 125.725 1.891 . . . . 0.0 114.851 -172.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttp 87.18 71.35 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.819 1.949 . . . . 0.0 109.776 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.05 135.67 57.7 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 109.8 -3.364 . . . . 0.0 111.034 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.28 -28.56 18.7 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.3 -1.773 . . . . 0.0 108.858 159.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.267 2.6 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.964 1.364 . . . . 0.0 112.617 176.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.52 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 28.2 mt -125.75 131.03 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.388 -2.642 . . . . 0.0 107.785 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.85 139.85 46.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.379 -2.192 . . . . 0.0 109.684 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.05 121.79 34.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 111.752 -2.476 . . . . 0.0 106.824 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 t -115.04 127.96 55.96 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 113.901 -1.5 . . . . 0.0 108.675 -173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -127.69 137.02 52.36 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.801 -1.999 . . . . 0.0 109.984 -163.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.357 0.892 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.245 -160.285 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -79.85 -29.89 40.22 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.754 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.1 mt -91.36 -45.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.355 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.43 -56.71 4.23 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 118.289 -1.364 . . . . 0.0 113.526 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -78.39 -25.83 46.29 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 112.291 -2.231 . . . . 0.0 112.713 -156.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.12 124.5 21.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.619 -169.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.21 25.85 46.53 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 112.582 -2.099 . . . . 0.0 111.826 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' A' ' 43' ' ' GLN . 16.9 tp -75.6 -25.8 57.3 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.414 0.714 . . . . 0.0 112.187 162.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 -64.82 -42.7 94.77 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 116.041 -2.264 . . . . 0.0 109.102 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.345 30.1 mt-10 -77.6 -26.57 50.77 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 118.341 2.719 . . . . 0.0 118.341 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.287 75.3 mttt -76.49 -29.26 56.76 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 125.959 2.037 . . . . 0.0 113.337 165.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.5 t -77.14 -33.48 56.66 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 123.201 1.477 . . . . 0.0 110.84 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -65.24 -42.81 92.98 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 110.749 -2.932 . . . . 0.0 109.21 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.304 1.6 pt-20 -73.0 -29.87 63.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 109.83 -3.35 . . . . 0.0 111.938 -176.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.15 11.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.079 -2.328 . . . . 0.0 112.737 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 37.2 39.1 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB3' HD13 ' A' ' 86' ' ' ILE . 64.1 mt -142.24 48.72 1.56 Allowed 'General case' 0 C--N 1.347 0.46 0 CA-C-N 111.739 -2.231 . . . . 0.0 108.485 -171.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 113.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.917 171.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.54 -27.58 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 111.753 -2.476 . . . . 0.0 108.433 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.91 124.92 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 111.839 -2.18 . . . . 0.0 109.948 167.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -87.85 134.02 33.78 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 110.648 -2.978 . . . . 0.0 107.67 162.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.52 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 17.5 mt -109.96 133.6 53.01 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.647 1.213 . . . . 0.0 111.132 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 110.762 -2.926 . . . . 0.0 106.18 171.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.477 HG21 ' SG ' ' A' ' 71' ' ' CYS . 12.4 p -136.11 123.65 34.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.16 152.16 20.29 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.501 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.38 -154.27 18.5 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 111.498 -2.351 . . . . 0.0 109.699 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -83.59 91.91 7.54 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 112.435 -1.883 . . . . 0.0 108.421 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 pt -93.73 -11.53 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 112.489 -2.142 . . . . 0.0 112.097 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.346 0.451 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.3 m-90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.25 -42.45 67.36 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 CA-C-N 120.831 1.333 . . . . 0.0 115.2 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.09 -38.34 31.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.672 -2.058 . . . . 0.0 112.102 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.72 -41.31 70.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.915 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -74.03 -31.95 63.13 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.225 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -58.83 -39.39 81.08 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.636 1.21 . . . . 0.0 111.005 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -76.62 -44.56 33.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.424 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.01 -42.9 56.47 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.571 1.17 . . . . 0.0 111.28 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -69.4 -28.99 66.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.023 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.95 61.62 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.447 1.092 . . . . 0.0 111.072 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -39.47 83.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.743 173.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.43 -48.57 0.26 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 113.493 -1.685 . . . . 0.0 112.033 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -48.75 141.4 7.37 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 125.126 1.133 . . . . 0.0 113.136 -160.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.04 -51.71 36.11 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.319 -2.219 . . . . 0.0 109.463 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -145.21 141.24 28.49 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.666 -2.061 . . . . 0.0 110.081 -169.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.31 113.91 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 112.634 -2.075 . . . . 0.0 109.729 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.48 143.4 28.08 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.671 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -54.53 176.19 0.12 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.097 2.531 . . . . 0.0 115.553 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.27 112.2 2.75 Favored 'Trans proline' 0 C--N 1.363 1.29 0 N-CA-C 108.983 -1.199 . . . . 0.0 108.983 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.89 74.58 0.78 Allowed Glycine 0 C--N 1.351 1.416 0 CA-C-N 112.984 -1.917 . . . . 0.0 111.063 -173.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.49 137.85 33.11 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.445 -1.878 . . . . 0.0 109.683 -178.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.45 157.13 1.82 Allowed Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.028 159.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -83.08 -15.47 7.93 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.154 1.236 . . . . 0.0 114.065 173.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.4 -29.88 67.72 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.625 1.203 . . . . 0.0 110.885 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -68.29 -39.04 82.21 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 113.467 -1.697 . . . . 0.0 112.47 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m -79.44 -37.65 36.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.318 2.261 . . . . 0.0 108.603 -168.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.8 mt -72.88 -40.91 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 111.632 -2.531 . . . . 0.0 110.499 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.84 63.72 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.984 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -70.42 -37.78 74.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 116.599 -2.04 . . . . 0.0 113.314 173.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 10.5 ptp -72.91 -28.9 62.73 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.41 1.005 . . . . 0.0 111.958 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.95 -54.6 31.94 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.427 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -70.68 -47.79 58.09 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.027 -1.897 . . . . 0.0 114.413 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.69 -38.17 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.461 1.101 . . . . 0.0 112.245 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -79.7 -13.5 59.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.523 1.139 . . . . 0.0 111.349 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.56 81.48 0.57 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.56 157.86 16.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-N 112.607 -1.797 . . . . 0.0 107.685 -170.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 112.461 -2.154 . . . . 0.0 110.243 -176.034 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -78.86 109.72 13.39 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 118.073 -1.451 . . . . 0.0 108.864 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -99.9 116.97 33.2 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 110.669 -2.969 . . . . 0.0 106.504 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.92 135.09 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 CA-C-N 112.714 -2.039 . . . . 0.0 105.655 166.208 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 37' ' ' ILE 0.298 1.3 t -130.13 116.86 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 109.163 -3.653 . . . . 0.0 103.62 -164.292 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.05 129.25 39.78 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.462 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.67 145.94 16.19 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 110.945 -2.843 . . . . 0.0 108.878 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.39 120.56 46.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 172.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.82 117.74 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.071 -170.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.163 0 CA-C-N 111.156 -2.747 . . . . 0.0 111.581 178.479 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.221 -0.426 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -69.32 -34.6 74.9 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 125.248 1.592 . . . . 0.0 111.77 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -79.02 -35.76 42.21 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.307 -1.77 . . . . 0.0 110.139 -174.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -38.99 79.03 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.221 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -62.21 -20.54 64.29 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.034 -2.348 . . . . 0.0 112.958 170.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 7.0 33.04 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 121.39 0.614 . . . . 0.0 110.058 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.52 18.72 78.85 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.712 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.65 157.17 19.17 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 116.975 -1.89 . . . . 0.0 108.933 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -77.92 104.73 8.66 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 162.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.56 129.24 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.932 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 53' ' ' THR . 0.0 OUTLIER -133.08 113.39 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 110.667 -2.969 . . . . 0.0 106.989 -168.76 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -85.75 102.93 14.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.293 -2.231 . . . . 0.0 106.863 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 pp -71.1 -28.47 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 111.007 -2.815 . . . . 0.0 110.523 -169.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.17 159.85 10.05 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.303 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.96 117.77 31.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.313 -1.943 . . . . 0.0 107.381 171.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 174.67 148.88 0.08 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.716 -2.038 . . . . 0.0 107.389 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -91.21 106.94 18.87 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.256 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t 178.17 117.54 0.04 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.82 166.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -48.01 -55.06 10.97 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.239 -1.8 . . . . 0.0 113.344 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.53 -17.81 60.63 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 124.253 0.97 . . . . 0.0 112.414 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.13 -37.54 33.34 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.896 0.747 . . . . 0.0 111.564 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -40.97 50.08 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 123.191 1.472 . . . . 0.0 111.616 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.71 -38.65 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 109.753 -3.385 . . . . 0.0 112.085 160.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -68.16 -28.76 67.57 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.146 0.904 . . . . 0.0 111.064 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.18 61.28 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 124.605 1.19 . . . . 0.0 113.262 168.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.74 -30.53 69.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 117.339 -1.744 . . . . 0.0 114.643 162.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.58 -40.36 71.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.705 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.05 -50.43 13.12 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 113.909 -1.496 . . . . 0.0 109.134 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.433 HG21 HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -104.33 -11.36 17.2 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 110.523 -3.035 . . . . 0.0 112.709 -162.296 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 79.45 61.74 0.02 OUTLIER 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.033 1.458 . . . . 0.0 110.842 164.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 140.04 57.18 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.255 -2.248 . . . . 0.0 112.068 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.63 -31.15 16.76 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.472 150.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 134' ' ' LEU 0.255 2.6 pt? -140.46 144.88 36.32 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 123.111 1.434 . . . . 0.0 112.301 -177.762 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 7' ' ' VAL . 23.1 mt -125.31 130.02 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 110.528 -3.033 . . . . 0.0 108.088 176.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.3 m -115.03 141.08 48.49 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 111.75 -2.477 . . . . 0.0 108.709 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.15 121.75 47.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 111.836 -2.438 . . . . 0.0 106.698 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 112.4 24.54 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 63' ' ' LEU . 92.4 p -103.83 124.75 49.5 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.714 -1.584 . . . . 0.0 108.512 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 62' ' ' SER . 3.4 mm? . . . . . 0 CA--C 1.54 0.569 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.106 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.6 -44.47 42.86 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.56 -1.32 . . . . 0.0 109.765 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -44.77 32.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 CA-C-N 111.212 -2.722 . . . . 0.0 110.717 -167.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.72 -51.93 9.77 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.713 -2.039 . . . . 0.0 112.863 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.18 -44.42 53.52 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.534 1.147 . . . . 0.0 112.257 -166.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -75.29 135.39 40.92 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 118.891 -1.123 . . . . 0.0 110.831 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 17.75 64.08 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 112.166 -2.288 . . . . 0.0 111.599 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -75.52 -25.78 57.51 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.954 1.032 . . . . 0.0 111.002 157.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.42 -46.87 86.61 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.873 171.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.442 28.5 mm-40 -77.38 -26.27 51.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 2.2 mmmp? -76.24 -29.56 57.56 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 125.427 1.704 . . . . 0.0 113.228 166.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 t -77.36 -32.12 54.82 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.38 1.562 . . . . 0.0 111.55 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.08 -44.26 80.52 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 110.481 -3.054 . . . . 0.0 109.52 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.1 -29.66 63.08 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 109.304 -3.589 . . . . 0.0 112.233 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.78 -0.08 14.67 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.641 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 38.98 34.33 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -142.14 35.54 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 111.787 -2.207 . . . . 0.0 109.711 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.9 122.07 24.32 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.758 -1.565 . . . . 0.0 110.142 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.16 -33.35 1.24 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD21 ' A' ' 88' ' ' LEU . 1.3 mp -65.05 124.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 111.367 -2.417 . . . . 0.0 111.562 171.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -95.78 142.82 27.61 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 109.317 -3.583 . . . . 0.0 108.822 171.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.488 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.1 mt -116.71 140.28 49.6 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 124.008 1.861 . . . . 0.0 112.188 -165.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 109.569 -3.469 . . . . 0.0 106.804 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.04 123.56 34.67 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-N 113.629 -1.623 . . . . 0.0 106.636 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.02 149.6 16.92 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 113.792 -1.549 . . . . 0.0 113.562 -166.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.42 -131.49 10.74 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 111.626 -2.287 . . . . 0.0 110.759 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -92.78 76.97 4.87 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.048 -1.076 . . . . 0.0 109.059 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.23 -11.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-N 113.023 -1.899 . . . . 0.0 112.215 -172.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 HG13 ' A' ' 104' ' ' VAL . 25.5 t . . . . . 0 C--N 1.356 0.868 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 168.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.326 1.2 m-90 . . . . . 0 CA--C 1.56 1.361 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.19 -52.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 122.423 1.901 . . . . 0.0 112.955 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.42 -29.93 37.66 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.324 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 95' ' ' VAL . 61.5 t -74.22 -36.44 43.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.117 -1.856 . . . . 0.0 110.79 -167.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.09 -46.2 44.43 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.345 172.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -49.85 -43.96 49.36 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.442 1.089 . . . . 0.0 112.431 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.63 -53.18 9.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.521 -172.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -75.14 -45.47 40.68 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.863 -170.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -60.23 -44.94 94.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.898 -1.955 . . . . 0.0 111.729 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.55 72.56 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.77 1.294 . . . . 0.0 112.172 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 33.8 mmt -75.96 -25.19 55.65 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.797 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.29 -6.38 0.23 Allowed Glycine 0 C--N 1.359 1.841 0 C-N-CA 117.936 -2.078 . . . . 0.0 115.507 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -74.38 138.38 43.36 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 118.511 -1.276 . . . . 0.0 110.049 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.59 -62.68 1.7 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-N 112.459 -2.155 . . . . 0.0 109.438 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -145.17 156.06 43.65 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.428 1.705 . . . . 0.0 109.746 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.8 113.94 45.63 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 111.41 -2.632 . . . . 0.0 107.257 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 121' ' ' THR . 32.5 m-85 -76.98 142.43 69.1 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.164 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -54.91 -179.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.282 2.655 . . . . 0.0 113.797 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -83.58 114.92 2.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 N-CA-C 109.377 -1.047 . . . . 0.0 109.377 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.88 71.67 1.11 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.193 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.05 137.67 40.02 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.154 -2.023 . . . . 0.0 110.692 -174.112 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.45 151.61 0.57 Allowed Pre-proline 0 CA--C 1.552 1.022 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.25 157.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.12 -10.02 10.36 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 121.31 1.34 . . . . 0.0 113.262 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.98 -29.77 66.94 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 124.342 1.026 . . . . 0.0 111.135 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -32.97 68.6 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 125.277 1.61 . . . . 0.0 112.399 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.5 m -79.64 -36.39 37.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 126.324 2.265 . . . . 0.0 108.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.4 mt -75.13 -37.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 111.925 -2.398 . . . . 0.0 110.087 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.9 64.13 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.302 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.19 -55.46 24.89 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 116.132 -2.227 . . . . 0.0 112.387 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 7.7 ptp -71.12 -28.94 64.66 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.693 0.621 . . . . 0.0 112.111 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -70.68 -57.33 4.8 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 117.419 -1.712 . . . . 0.0 109.484 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.96 -35.2 74.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.726 -170.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -78.73 -33.95 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.264 -1.335 . . . . 0.0 112.33 -174.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.413 HD11 HD22 ' A' ' 57' ' ' LEU . 45.6 mt -88.85 -3.66 58.69 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 124.237 0.961 . . . . 0.0 111.661 -175.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.34 63.78 1.18 Allowed Glycine 0 C--N 1.355 1.602 0 O-C-N 124.213 0.946 . . . . 0.0 110.912 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.01 157.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.178 -2.011 . . . . 0.0 107.318 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 113.85 -1.523 . . . . 0.0 109.13 174.136 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -113.01 119.02 36.46 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.817 -1.992 . . . . 0.0 107.128 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.8 m -90.57 126.57 35.98 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.307 -2.679 . . . . 0.0 106.75 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.445 HG22 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -120.96 148.94 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 0 C-N-CA 127.312 2.245 . . . . 0.0 105.449 171.786 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.14 138.02 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 1 CA-C-N 107.893 -4.23 . . . . 0.0 103.971 -170.687 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.49 129.84 39.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 117.423 -1.711 . . . . 0.0 108.187 167.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.21 145.02 15.98 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.394 166.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.67 124.61 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 111.632 -2.284 . . . . 0.0 105.205 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.52 122.57 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 112.92 -1.946 . . . . 0.0 107.639 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.065 0 CA-C-N 110.347 -3.115 . . . . 0.0 110.859 175.097 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 -29.63 61.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.569 -1.65 . . . . 0.0 112.6 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -66.08 -41.71 90.34 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.265 0.978 . . . . 0.0 109.086 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.12 79.48 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 112.88 -1.964 . . . . 0.0 111.219 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -67.33 -20.71 65.63 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.07 -1.877 . . . . 0.0 112.933 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.46 7.68 18.97 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.991 0.807 . . . . 0.0 110.997 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.47 22.49 77.78 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.674 -170.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -86.16 151.89 23.29 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -177.755 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -78.26 104.4 8.82 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 6' ' ' ILE . 13.6 t -127.57 117.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.699 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.9 110.96 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 111.302 -2.681 . . . . 0.0 106.752 158.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -85.88 97.67 10.35 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.65 19.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.142 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.46 -164.97 54.36 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.509 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.95 117.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 CA-C-N 113.144 -1.528 . . . . 0.0 109.0 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.07 83.74 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.898 -1.956 . . . . 0.0 107.991 -175.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 87.68 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.69 -1.596 . . . . 0.0 110.456 173.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -117.35 -147.67 0.41 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.072 -1.877 . . . . 0.0 107.678 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.67 ' CB ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -47.95 -50.89 25.71 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 124.315 1.01 . . . . 0.0 112.99 -176.599 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -52.28 -35.87 51.31 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.75 1.281 . . . . 0.0 113.348 -167.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -83.96 -31.55 25.5 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.918 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -38.11 56.28 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.079 1.419 . . . . 0.0 113.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.5 mt -49.64 -38.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 110.304 -3.135 . . . . 0.0 111.319 159.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -68.86 -28.83 67.06 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.479 1.112 . . . . 0.0 111.425 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.54 63.66 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 124.277 0.986 . . . . 0.0 110.362 167.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.23 68.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 115.865 -2.334 . . . . 0.0 113.911 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.19 -39.77 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.758 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.06 -50.32 13.35 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.11 -1.404 . . . . 0.0 112.973 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.501 ' HB ' HG21 ' A' ' 5' ' ' THR . 21.3 p -97.43 -29.21 13.63 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 125.338 1.649 . . . . 0.0 113.342 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 91.86 58.84 0.0 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 126.24 2.213 . . . . 0.0 109.326 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.39 122.97 22.93 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 109.97 -3.286 . . . . 0.0 110.68 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.48 -22.95 56.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.768 1.918 . . . . 0.0 110.5 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 57' ' ' LEU . 2.4 pt? -140.49 144.61 36.1 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 123.015 1.388 . . . . 0.0 111.783 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.539 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 62.8 mt -121.29 124.59 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 110.329 -3.123 . . . . 0.0 106.44 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.11 114.66 25.62 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.107 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.8 121.66 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.989 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.51 143.16 31.01 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.797 -2.456 . . . . 0.0 107.354 173.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -131.51 121.05 23.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.11 1.506 . . . . 0.0 109.124 -174.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.351 0.665 0 CA-C-N 111.945 -2.389 . . . . 0.0 110.634 -169.596 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.781 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -61.91 -27.79 69.06 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.075 -1.062 . . . . 0.0 110.927 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -89.11 -44.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.932 -1.94 . . . . 0.0 111.546 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.91 -56.14 4.74 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 122.917 1.341 . . . . 0.0 112.698 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.421 ' SG ' HG21 ' A' ' 90' ' ' VAL . 32.3 m -63.79 -25.95 68.41 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 110.658 -2.974 . . . . 0.0 112.255 -162.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -71.06 111.59 6.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.524 -1.671 . . . . 0.0 107.9 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 18.5 80.15 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 112.521 -2.127 . . . . 0.0 114.829 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 43' ' ' GLN . 21.8 tp -75.7 -25.84 57.02 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 117.562 0.681 . . . . 0.0 111.881 153.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -62.74 -45.12 94.21 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 118.62 -1.232 . . . . 0.0 110.924 165.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.43 2.1 pt-20 -77.28 -25.98 51.93 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 117.576 2.435 . . . . 0.0 117.576 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 64.9 mmtt -76.5 -29.73 56.92 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 125.684 1.865 . . . . 0.0 113.403 166.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.2 p -77.25 -32.64 55.84 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.337 1.541 . . . . 0.0 111.579 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -78.05 -33.14 51.14 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 110.522 -3.035 . . . . 0.0 111.234 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.342 22.0 mm-40 -73.38 -29.63 62.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.114 -2.312 . . . . 0.0 112.855 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.71 3.13 6.85 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.423 -1.717 . . . . 0.0 112.612 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.01 34.44 47.33 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB3' HD13 ' A' ' 86' ' ' ILE . 62.3 mt -137.88 61.26 1.6 Allowed 'General case' 0 C--N 1.348 0.505 0 CA-C-N 111.813 -2.193 . . . . 0.0 108.173 -172.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 123.01 33.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 112.757 -2.02 . . . . 0.0 108.754 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -25.0 2.52 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -64.95 124.72 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 111.78 -2.21 . . . . 0.0 111.123 173.592 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -93.7 150.06 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 108.551 -3.931 . . . . 0.0 107.842 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.539 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 73.4 mt -130.86 127.68 39.07 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 113.253 -1.794 . . . . 0.0 109.768 -168.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -107.82 143.12 36.83 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.817 -2.447 . . . . 0.0 106.911 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' SG ' ' A' ' 71' ' ' CYS . 14.1 p -136.29 123.66 33.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 O-C-N 124.053 0.846 . . . . 0.0 110.223 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.11 137.93 13.83 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.631 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 94' ' ' ILE . . . 138.81 -153.31 22.6 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 113.07 -1.565 . . . . 0.0 110.562 171.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -81.5 -33.63 31.76 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.143 -1.529 . . . . 0.0 110.317 170.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.414 HG23 ' C ' ' A' ' 92' ' ' GLY 0.266 5.2 pt 53.35 16.23 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 130.766 3.626 . . . . 0.0 113.344 170.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--N 1.351 0.648 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.476 -172.679 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.635 1.3 m-90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 -35.15 71.23 Favored 'Trans proline' 0 CA--C 1.55 1.311 0 CA-C-N 120.975 1.384 . . . . 0.0 114.919 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.31 -39.32 28.97 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.278 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.59 -40.4 71.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.266 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.07 -29.83 62.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.838 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -64.52 -36.78 85.32 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.358 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.4 -53.05 9.34 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.188 0.93 . . . . 0.0 111.032 -173.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.46 -53.32 36.75 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.153 -1.84 . . . . 0.0 110.725 -172.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.94 -28.77 67.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.267 -2.242 . . . . 0.0 112.633 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.22 91.27 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.07 0.856 . . . . 0.0 112.479 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -71.67 -18.42 62.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.437 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 137.02 -10.81 3.9 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.905 1.378 . . . . 0.0 113.865 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.05 136.8 18.36 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 121.614 0.721 . . . . 0.0 111.445 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.44 -63.13 1.41 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.152 -168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -145.24 156.1 43.64 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.215 1.572 . . . . 0.0 110.841 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -117.6 113.95 44.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 111.427 -2.624 . . . . 0.0 108.847 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.28 137.96 24.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.77 177.68 0.13 Allowed 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.825 2.35 . . . . 0.0 115.655 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -80.84 115.27 3.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 N-CA-C 109.114 -1.148 . . . . 0.0 109.114 167.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.44 60.21 3.57 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.104 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 137.59 37.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.542 -1.829 . . . . 0.0 108.787 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.55 152.54 12.13 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.882 162.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.6 -20.27 8.14 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 120.662 0.908 . . . . 0.0 113.545 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -29.97 70.73 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.843 -1.526 . . . . 0.0 110.461 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.4 m -65.86 -40.15 91.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.885 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -79.3 -38.63 34.87 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 125.594 1.808 . . . . 0.0 109.719 -164.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.12 -44.06 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 110.607 -2.997 . . . . 0.0 109.794 -173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.96 63.49 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.051 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' THR 0.269 11.3 t70 -71.42 -28.78 64.23 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.778 168.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.489 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -65.17 -43.26 92.28 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 121.416 0.626 . . . . 0.0 110.991 177.254 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.39 -55.08 17.52 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.243 -1.799 . . . . 0.0 109.114 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -53.4 -34.2 56.82 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.903 -1.953 . . . . 0.0 114.669 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.4 -47.02 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.483 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' ' 130' ' ' MET . 94.0 mt -90.47 17.06 7.8 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.291 0.994 . . . . 0.0 112.318 -172.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.73 57.72 4.82 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.761 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -147.75 159.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 112.395 -1.903 . . . . 0.0 106.853 -174.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 CA--C 1.545 0.762 0 O-C-N 125.34 1.65 . . . . 0.0 110.982 -179.362 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.951 0.882 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -107.41 109.88 21.71 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.266 -2.243 . . . . 0.0 107.137 167.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 53' ' ' THR . 30.6 m -89.76 131.02 35.93 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.057 173.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -110.14 122.95 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 CA-C-N 110.216 -3.175 . . . . 0.0 103.817 163.669 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.292 0.9 OUTLIER -100.05 141.03 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.867 0 CA-C-N 109.587 -3.46 . . . . 0.0 103.275 176.183 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -132.22 128.97 39.07 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 116.433 -2.107 . . . . 0.0 106.744 163.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -123.92 145.63 16.02 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 112.223 -2.262 . . . . 0.0 109.157 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.418 ' CG1' HD21 ' A' ' 63' ' ' LEU . 74.3 t -97.72 120.98 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 170.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.61 144.04 11.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 CA-C-N 112.688 -2.051 . . . . 0.0 108.779 -164.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.076 0 CA-C-N 110.19 -3.186 . . . . 0.0 105.844 -150.467 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.6 m80 . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 121.632 0.73 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -76.59 -26.76 55.37 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.953 -1.931 . . . . 0.0 111.945 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.85 -41.77 95.44 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.157 0.911 . . . . 0.0 110.588 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -37.67 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.215 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.3 -20.62 66.15 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 111.891 -2.413 . . . . 0.0 112.562 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.42 12.59 22.21 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.105 0.878 . . . . 0.0 110.17 -165.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.85 20.94 79.75 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.357 -1.747 . . . . 0.0 111.948 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.75 157.78 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 117.393 -1.723 . . . . 0.0 107.916 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -77.77 111.85 14.0 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 103.227 -2.879 . . . . 0.0 103.227 164.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.0 110.13 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 125.271 1.607 . . . . 0.0 108.926 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.81 110.6 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 110.761 -2.927 . . . . 0.0 105.103 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -96.67 97.87 9.71 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.402 -1.727 . . . . 0.0 107.033 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -36.94 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.179 -2.282 . . . . 0.0 109.22 -171.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -163.59 54.87 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 114.139 -1.392 . . . . 0.0 112.969 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.9 167.45 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 111.748 -2.226 . . . . 0.0 109.032 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 91.38 39.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.567 1.947 . . . . 0.0 110.164 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p 175.92 157.18 0.23 Allowed 'General case' 0 C--N 1.348 0.508 0 CA-C-N 112.675 -2.057 . . . . 0.0 108.395 -165.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -124.85 -172.38 2.56 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.307 -1.769 . . . . 0.0 109.967 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.694 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -58.29 -30.04 66.32 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -68.1 -29.03 67.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 124.57 1.168 . . . . 0.0 111.893 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.37 -33.58 58.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.342 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -76.46 -34.43 58.69 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 123.282 1.515 . . . . 0.0 112.905 -176.175 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.78 -42.0 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 109.739 -3.391 . . . . 0.0 111.217 160.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -71.15 -28.83 64.55 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.703 1.252 . . . . 0.0 111.748 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 53' ' ' THR . . . -71.51 -28.66 64.05 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 116.801 -1.571 . . . . 0.0 111.705 166.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.45 62.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 118.798 -1.161 . . . . 0.0 113.327 169.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.07 -36.67 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -73.12 -50.77 20.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.554 -1.657 . . . . 0.0 111.76 -171.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -90.66 -36.77 14.18 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 110.632 -2.985 . . . . 0.0 112.383 -167.787 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 83.09 79.66 0.03 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 111.536 -2.574 . . . . 0.0 109.671 -166.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.75 139.71 55.33 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.285 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -31.69 16.76 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.667 155.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pt? -140.5 145.04 36.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.156 1.455 . . . . 0.0 112.678 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 51.9 mt -124.92 127.36 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 110.492 -3.049 . . . . 0.0 106.401 177.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.26 141.09 46.39 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 113.336 -1.757 . . . . 0.0 109.687 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.56 121.49 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 111.626 -2.534 . . . . 0.0 105.689 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -115.18 114.83 25.78 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 124.979 1.425 . . . . 0.0 108.987 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.88 144.87 29.31 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.696 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' CG1' ' A' ' 10' ' ' VAL . 94.9 mt . . . . . 0 C--N 1.348 0.516 0 CA-C-N 111.7 -2.5 . . . . 0.0 110.914 -163.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.486 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -49.78 74.13 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.979 -2.11 . . . . 0.0 109.367 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.22 -45.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 111.902 -2.408 . . . . 0.0 112.022 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.36 -56.73 4.22 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -27.64 46.35 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 113.334 -1.757 . . . . 0.0 114.034 -154.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -71.55 123.31 22.17 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.606 1.191 . . . . 0.0 110.74 -167.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.08 27.79 24.94 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-N 113.376 -1.738 . . . . 0.0 111.971 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 43' ' ' GLN . 20.3 tp -75.33 -25.41 57.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 125.64 1.435 . . . . 0.0 110.411 154.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.84 -46.97 86.45 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 117.604 -1.638 . . . . 0.0 109.567 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.365 18.4 mp0 -77.41 -26.25 51.52 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.279 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -76.15 -29.34 57.73 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.747 1.904 . . . . 0.0 113.265 168.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.24 -35.03 55.74 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 123.364 1.554 . . . . 0.0 110.655 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.81 -42.81 97.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 110.235 -3.166 . . . . 0.0 109.613 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.315 0.1 OUTLIER -73.12 -29.93 63.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 110.188 -3.187 . . . . 0.0 111.841 -177.433 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 1.49 10.42 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 112.165 -2.288 . . . . 0.0 112.562 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.93 37.83 37.54 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.0 mt -143.84 48.4 1.41 Allowed 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.642 -2.279 . . . . 0.0 108.646 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.19 114.83 24.15 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.457 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 152.57 -28.11 0.85 Allowed Glycine 0 C--N 1.344 1.027 0 CA-C-N 111.94 -2.391 . . . . 0.0 108.291 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.83 124.89 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 111.583 -2.308 . . . . 0.0 109.837 167.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -87.87 144.4 26.6 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 110.853 -2.885 . . . . 0.0 108.604 159.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 29.8 mt -118.26 135.17 54.43 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.323 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -107.86 151.2 26.08 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 111.302 -2.681 . . . . 0.0 107.518 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.25 123.89 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 113.067 -1.878 . . . . 0.0 108.316 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.11 18.21 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 114.164 -1.38 . . . . 0.0 113.187 -166.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.49 -141.16 20.28 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 112.339 -1.931 . . . . 0.0 111.529 170.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -81.83 88.29 6.33 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 112.631 -1.784 . . . . 0.0 107.902 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -27.56 10.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.769 1.293 . . . . 0.0 110.641 -176.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 159.62 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.49 ' HB3' HG23 ' A' ' 104' ' ' VAL . 10.0 p90 . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.35 -21.56 5.3 Favored 'Trans proline' 0 CA--C 1.557 1.645 0 C-N-CA 121.487 1.458 . . . . 0.0 112.769 125.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.14 -52.37 7.85 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.023 -163.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 101' ' ' TRP . 48.0 t -69.41 -37.72 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.131 -1.849 . . . . 0.0 110.764 -169.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.35 -47.73 82.94 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.844 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -57.09 -35.01 68.89 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.527 1.142 . . . . 0.0 112.111 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -76.45 -52.16 10.38 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.166 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.66 -44.01 83.03 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.513 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -73.94 -28.98 61.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.442 -2.617 . . . . 0.0 111.937 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.05 74.79 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.492 1.12 . . . . 0.0 111.352 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mmt -74.7 -32.93 62.32 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.9 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.61 -50.64 0.11 Allowed Glycine 0 C--N 1.355 1.616 0 C-N-CA 117.374 -2.346 . . . . 0.0 113.384 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -48.84 146.35 3.29 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.394 -1.403 . . . . 0.0 113.774 -165.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.89 -62.94 1.42 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 111.619 -2.537 . . . . 0.0 109.805 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -145.26 156.18 43.68 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.337 -172.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.03 125.82 72.74 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.845 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -96.04 116.96 66.53 Favored Pre-proline 0 C--N 1.357 0.913 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.599 166.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.76 172.51 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 121.137 1.225 . . . . 0.0 114.513 167.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.86 118.49 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 120.861 1.041 . . . . 0.0 110.691 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.25 7.16 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.389 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 m -86.98 137.19 32.56 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.353 1.073 . . . . 0.0 109.288 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -58.17 167.2 1.7 Allowed Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.221 169.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.17 -15.81 7.62 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 120.994 1.129 . . . . 0.0 114.195 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -72.71 -29.67 63.56 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.035 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -66.76 -33.36 75.46 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.169 -1.832 . . . . 0.0 112.27 173.653 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.34 -33.11 43.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 126.507 2.379 . . . . 0.0 108.542 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.0 mt -75.17 -39.35 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 111.807 -2.451 . . . . 0.0 110.518 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.04 63.94 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.458 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 40.3 t0 -63.26 -55.39 25.27 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 116.568 -2.053 . . . . 0.0 112.47 172.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptp -67.49 -34.83 77.95 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.015 0.822 . . . . 0.0 111.786 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.97 -55.79 12.97 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.024 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.56 -37.1 84.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.4 p -78.65 -36.05 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.574 1.171 . . . . 0.0 112.453 -171.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.0 mt -85.4 -15.88 41.65 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.424 1.077 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.0 83.59 0.88 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.31 3.56 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 112.256 -1.972 . . . . 0.0 112.633 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 112.171 -2.286 . . . . 0.0 109.409 -177.223 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -116.88 109.92 17.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 108.431 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -89.97 134.25 34.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 111.145 -2.752 . . . . 0.0 107.755 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.49 139.5 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 C-N-CA 127.464 2.306 . . . . 0.0 105.05 173.336 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.68 HG13 HG21 ' A' ' 37' ' ' ILE 0.262 1.0 OUTLIER -117.45 134.97 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-N 108.949 -3.75 . . . . 0.0 104.945 -177.169 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.6 128.56 37.42 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 116.604 -2.038 . . . . 0.0 107.243 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.52 146.13 16.09 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 112.743 -2.026 . . . . 0.0 110.926 172.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.11 120.37 46.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 116.069 -2.253 . . . . 0.0 106.192 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -104.64 136.42 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 110.225 -3.17 . . . . 0.0 108.712 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.399 0 CA-C-N 111.664 -2.516 . . . . 0.0 109.512 -169.107 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 121.527 0.68 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.308 -2.224 . . . . 0.0 112.039 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.4 m-30 -70.91 -33.41 70.51 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -36.98 78.81 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.196 -1.82 . . . . 0.0 109.395 176.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.44 -20.59 64.65 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.017 -1.902 . . . . 0.0 112.825 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.23 2.67 56.19 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 123.877 0.736 . . . . 0.0 110.019 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.77 19.93 79.75 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.635 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.56 142.99 27.43 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.337 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.98 104.46 8.56 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.8 t -127.09 132.93 69.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.929 -165.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.65 115.57 25.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 111.683 -2.508 . . . . 0.0 107.799 -162.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.98 97.93 10.53 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.324 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.68 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -75.04 -25.77 18.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.383 -2.189 . . . . 0.0 111.807 -169.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.42 139.46 2.98 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 113.987 -1.46 . . . . 0.0 109.969 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.77 127.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 168.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.05 101.98 0.05 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.227 -160.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -164.21 177.03 8.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.915 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 m -158.94 172.28 18.5 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.11 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -48.08 -28.79 3.07 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 112.79 -2.004 . . . . 0.0 115.84 -161.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.12 -36.55 82.16 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.943 0.777 . . . . 0.0 111.843 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.95 -41.38 78.11 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 113.677 -1.601 . . . . 0.0 112.078 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 1.3 m-85 -76.23 -33.48 59.22 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-O 122.388 1.089 . . . . 0.0 113.439 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.86 -49.43 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 110.904 -2.862 . . . . 0.0 110.234 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.337 1.648 . . . . 0.0 111.919 -166.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.89 61.42 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 124.991 1.432 . . . . 0.0 110.287 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.36 64.33 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 116.791 -1.964 . . . . 0.0 112.963 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.05 -41.66 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.918 171.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -50.51 13.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.965 -167.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -97.95 -25.7 14.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 125.664 1.853 . . . . 0.0 113.4 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 97.89 62.3 0.0 OUTLIER 'General case' 0 C--N 1.343 0.321 0 O-C-N 126.334 2.271 . . . . 0.0 110.547 164.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.97 125.92 20.58 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 111.866 -2.424 . . . . 0.0 111.951 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.17 -28.96 18.57 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 112.139 -2.301 . . . . 0.0 108.181 157.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pt? -140.53 145.07 36.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.322 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 42.8 mt -126.19 123.15 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.275 -2.693 . . . . 0.0 106.793 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.64 140.06 47.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.777 -2.011 . . . . 0.0 108.526 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 121.97 63.11 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 111.659 -2.519 . . . . 0.0 107.344 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.5 112.59 24.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.405 -2.18 . . . . 0.0 105.77 174.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -135.25 109.85 8.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.261 -2.245 . . . . 0.0 106.997 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.347 0.478 0 CA-C-N 113.061 -1.881 . . . . 0.0 111.466 -142.49 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.358 0 CA-C-O 122.039 0.799 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.16 -34.8 37.31 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 112.509 -1.846 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.93 -44.2 92.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.748 -2.024 . . . . 0.0 110.887 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.33 -41.97 38.45 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.597 1.186 . . . . 0.0 113.376 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.74 -44.12 51.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.971 -165.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.54 133.69 55.47 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.97 1.419 . . . . 0.0 111.801 -172.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.21 12.09 71.27 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 112.505 -2.134 . . . . 0.0 112.765 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.4 -25.64 57.75 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.428 0.722 . . . . 0.0 110.266 154.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -54.07 -57.27 11.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.579 1.175 . . . . 0.0 109.814 168.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.471 7.3 tp10 -77.48 -25.9 50.83 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 93.0 mttt -76.28 -29.41 57.4 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.033 1.458 . . . . 0.0 113.605 168.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.61 -42.66 51.19 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 123.999 1.857 . . . . 0.0 109.788 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.264 14.1 m-20 -73.59 -26.9 61.02 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 109.245 -3.616 . . . . 0.0 111.658 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.318 25.7 mm-40 -73.67 -33.62 64.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 113.201 -1.818 . . . . 0.0 113.561 167.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.86 6.38 3.34 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.326 -1.761 . . . . 0.0 113.144 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.08 33.32 36.69 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.71 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB3' HD13 ' A' ' 86' ' ' ILE . 42.1 mt -135.86 62.62 1.62 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-N 112.227 -1.987 . . . . 0.0 107.202 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 115.94 28.19 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.675 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.27 -24.4 1.72 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.487 -171.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -64.92 124.73 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 111.632 -2.284 . . . . 0.0 109.004 166.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 136.42 33.14 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 110.601 -3.0 . . . . 0.0 107.805 161.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.564 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -110.35 134.61 52.13 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.966 1.365 . . . . 0.0 111.12 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.89 142.91 37.25 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 110.412 -3.086 . . . . 0.0 108.735 166.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.33 123.73 33.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 112.509 -2.132 . . . . 0.0 108.052 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.95 151.99 23.85 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.397 -172.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.61 -147.35 18.27 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.135 -2.032 . . . . 0.0 109.205 176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -77.92 87.93 4.11 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 123.053 1.406 . . . . 0.0 107.942 166.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.51 -34.22 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 110.462 -3.063 . . . . 0.0 111.938 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 C--N 1.352 0.683 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -175.859 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.58 3.0 m-90 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 118.11 2.633 . . . . 0.0 118.11 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.08 -35.23 25.44 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 N-CA-C 115.581 1.339 . . . . 0.0 115.581 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.25 -48.51 12.96 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.45 -1.705 . . . . 0.0 111.957 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.97 -59.14 4.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.453 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.57 -27.75 66.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.921 -2.399 . . . . 0.0 111.884 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.06 -40.77 64.23 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 118.467 -1.293 . . . . 0.0 112.023 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -75.31 -53.06 9.39 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.507 1.13 . . . . 0.0 111.886 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -64.61 -48.31 75.38 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.88 -173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -68.92 -28.55 66.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.406 -2.179 . . . . 0.0 112.076 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.15 70.83 Favored 'General case' 0 C--N 1.357 0.935 0 O-C-N 124.002 0.814 . . . . 0.0 112.023 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.5 mmt -67.9 -46.89 70.34 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.362 1.039 . . . . 0.0 109.709 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.63 -2.27 0.77 Allowed Glycine 0 C--N 1.353 1.517 0 CA-C-N 113.183 -1.826 . . . . 0.0 113.024 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -52.12 146.24 9.22 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-O 121.945 0.878 . . . . 0.0 111.34 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.86 -74.78 0.12 Allowed 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.428 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -145.02 156.33 43.87 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 124.21 0.944 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.85 138.76 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.623 -174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -104.94 147.34 34.32 Favored Pre-proline 0 C--N 1.36 1.06 0 O-C-N 124.873 1.358 . . . . 0.0 111.621 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -63.89 -179.93 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 121.978 1.786 . . . . 0.0 113.326 171.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.92 121.9 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.565 1.51 . . . . 0.0 110.501 166.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.5 63.57 1.84 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.398 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.44 40.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.406 -2.397 . . . . 0.0 108.886 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -49.97 157.2 1.13 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.697 163.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.422 ' O ' HG13 ' A' ' 127' ' ' ILE . 74.4 Cg_endo -76.77 -31.84 3.83 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 O-C-N 122.701 0.842 . . . . 0.0 110.591 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -30.71 51.88 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.183 1.552 . . . . 0.0 113.56 -170.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.01 -38.61 79.35 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.093 -178.181 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.4 m -79.55 -31.34 41.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 O-C-N 126.796 2.56 . . . . 0.0 110.112 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -75.4 -40.78 42.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 113.016 -1.902 . . . . 0.0 110.682 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.95 64.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.907 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 28.8 t0 -61.73 -55.51 29.48 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 115.751 -2.379 . . . . 0.0 113.396 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.3 ptp -73.06 -28.9 62.58 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -69.91 -53.07 19.61 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 125.124 1.515 . . . . 0.0 109.194 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.001 -1.454 . . . . 0.0 114.085 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.84 -47.06 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.738 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.9 mt -90.17 3.8 52.38 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.477 1.11 . . . . 0.0 112.649 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.2 72.19 0.88 Allowed Glycine 0 C--N 1.354 1.535 0 O-C-N 124.024 0.827 . . . . 0.0 111.432 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -148.38 158.62 7.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.009 -172.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.994 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -117.05 120.78 39.4 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.03 171.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -93.61 131.51 38.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 110.695 -2.957 . . . . 0.0 107.415 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -132.02 122.8 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 35' ' ' VAL 0.3 2.1 t -100.01 123.94 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 1 CA-C-N 108.0 -4.182 . . . . 0.0 104.204 -175.882 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.18 128.91 39.01 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.652 -2.019 . . . . 0.0 108.129 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.11 146.02 16.13 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 111.143 -2.753 . . . . 0.0 108.858 170.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -97.18 120.44 46.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 116.74 -1.984 . . . . 0.0 106.775 168.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -107.63 144.17 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 110.377 -3.101 . . . . 0.0 109.139 -166.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.338 0.694 0 CA-C-N 110.843 -2.889 . . . . 0.0 106.742 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -75.32 -30.66 60.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 125.584 1.803 . . . . 0.0 112.338 -171.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -66.78 -39.8 87.95 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.908 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -34.74 78.56 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.906 -1.952 . . . . 0.0 110.368 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.84 -20.71 63.41 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.917 -1.947 . . . . 0.0 112.563 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.07 12.19 14.15 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 124.066 0.854 . . . . 0.0 110.458 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.19 20.56 76.66 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.384 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -91.29 155.01 18.85 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -174.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.63 104.75 12.26 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 116.847 -1.941 . . . . 0.0 106.038 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 14.0 t -127.16 116.18 43.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.667 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.94 115.73 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 109.989 -3.278 . . . . 0.0 107.26 167.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -85.86 97.9 10.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.297 -2.229 . . . . 0.0 105.742 166.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.68 -18.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 112.685 -2.052 . . . . 0.0 110.855 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.95 -174.91 30.63 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.922 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' A' ' 10' ' ' VAL . 2.5 p -80.93 132.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.613 -1.793 . . . . 0.0 109.562 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.51 -139.23 0.07 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-N 111.283 -2.69 . . . . 0.0 110.174 163.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.493 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 59.8 p -166.6 15.97 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.565 1.166 . . . . 0.0 112.219 -168.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 t -159.67 152.53 21.66 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 125.06 2.362 . . . . 0.0 112.867 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.8 -28.85 66.36 Favored 'General case' 0 C--O 1.217 -0.625 1 CA-C-N 107.985 -4.188 . . . . 0.0 111.881 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.55 -37.95 58.8 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.374 1.046 . . . . 0.0 112.925 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -88.93 -34.59 16.86 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.406 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -38.21 56.63 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.325 1.059 . . . . 0.0 111.398 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.87 -32.76 53.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 CA-C-N 111.701 -2.5 . . . . 0.0 110.612 165.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -61.77 -36.73 81.91 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 118.571 -1.252 . . . . 0.0 110.881 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.58 62.64 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 112.095 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.21 66.23 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 115.598 -2.441 . . . . 0.0 113.398 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.58 -39.02 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.329 173.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -50.47 24.52 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.709 1.256 . . . . 0.0 112.826 -171.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 p -101.49 -28.98 12.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 125.569 1.793 . . . . 0.0 114.153 -171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 89.48 72.67 0.01 OUTLIER 'General case' 0 C--N 1.342 0.264 0 O-C-N 125.988 2.055 . . . . 0.0 109.809 173.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.77 133.24 54.03 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 109.988 -3.278 . . . . 0.0 111.237 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.22 -31.65 16.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.097 162.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.23 144.86 36.74 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.114 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.534 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.7 mt -124.5 128.07 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 111.387 -2.642 . . . . 0.0 106.996 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 56.2 m -115.0 136.42 53.14 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 111.148 -2.751 . . . . 0.0 109.299 -172.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.25 121.8 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 110.669 -2.968 . . . . 0.0 106.298 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -109.09 115.06 29.32 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.618 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' ILE . 27.1 m -100.72 117.09 34.12 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.939 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 CA--C 1.54 0.582 0 CA-C-N 112.097 -2.319 . . . . 0.0 108.682 163.206 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.07 -36.17 35.96 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.874 -1.163 . . . . 0.0 111.533 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.65 -44.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.362 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.26 -31.97 55.29 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.963 -1.471 . . . . 0.0 112.984 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.9 p -78.18 -26.69 47.73 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.997 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -75.78 125.74 29.66 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.539 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.63 20.39 56.39 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.876 -1.965 . . . . 0.0 112.666 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.7 -25.84 57.05 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 124.48 0.753 . . . . 0.0 112.032 163.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -54.49 46.36 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.36 169.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.409 31.6 tt0 -77.51 -26.25 51.0 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 118.717 2.858 . . . . 0.0 118.717 -176.331 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.313 39.5 mttp -76.22 -29.14 57.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.368 1.667 . . . . 0.0 112.659 165.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 86' ' ' ILE . 49.4 t -73.9 -39.74 63.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 123.959 1.837 . . . . 0.0 109.925 173.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.65 -37.44 87.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 109.789 -3.368 . . . . 0.0 110.911 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.293 3.5 pt-20 -73.2 -32.06 64.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.205 -2.725 . . . . 0.0 112.421 178.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 3.79 6.27 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 111.908 -2.405 . . . . 0.0 112.819 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.21 45.72 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.653 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' A' ' 86' ' ' ILE . 40.8 mt -133.63 69.66 1.47 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 112.043 -2.078 . . . . 0.0 107.139 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -98.92 117.24 32.98 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.356 -2.202 . . . . 0.0 108.008 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.16 -24.88 2.22 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 108.159 -1.977 . . . . 0.0 108.159 -172.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.8 mp -65.01 124.72 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 111.635 -2.283 . . . . 0.0 109.188 166.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' C ' HD23 ' A' ' 88' ' ' LEU . 47.3 mmtm -110.82 138.51 47.13 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 110.566 -3.015 . . . . 0.0 108.027 168.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.569 HD21 ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -109.82 133.64 52.93 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-O 124.17 1.938 . . . . 0.0 111.277 -167.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -107.87 129.93 55.04 Favored 'General case' 0 N--CA 1.45 -0.461 1 CA-C-N 108.076 -4.147 . . . . 0.0 106.84 171.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 123.8 34.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.094 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.27 152.01 20.48 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.838 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 94' ' ' ILE . . . 118.75 -152.08 17.5 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.952 -2.124 . . . . 0.0 110.605 170.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.15 83.7 6.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 112.718 -1.741 . . . . 0.0 108.057 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 4.6 pt -94.44 -3.14 10.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.954 -1.93 . . . . 0.0 113.65 -162.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.352 0.705 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -176.668 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.675 1.2 m-90 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.29 -33.9 97.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 121.231 1.475 . . . . 0.0 114.136 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -80.21 -37.78 32.47 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.324 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.44 -43.31 56.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.01 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.01 -27.93 61.19 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.393 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -57.58 -48.15 80.16 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.371 1.044 . . . . 0.0 111.176 172.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -74.21 -53.14 10.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.661 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -61.04 -49.5 77.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.737 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.46 -28.94 65.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.297 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.1 -31.76 72.45 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.453 1.096 . . . . 0.0 111.73 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.0 mmt -78.03 -21.6 50.48 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 124.599 1.187 . . . . 0.0 111.348 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.3 -15.77 0.87 Allowed Glycine 0 C--N 1.356 1.681 0 C-N-CA 119.305 -1.426 . . . . 0.0 114.338 165.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -59.03 132.03 52.8 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.716 1.246 . . . . 0.0 111.799 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -71.61 -47.41 54.81 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 111.672 -2.513 . . . . 0.0 109.251 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -145.03 137.76 26.27 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.218 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.2 t -123.27 113.7 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 112.131 -2.304 . . . . 0.0 108.628 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' HG21 ' A' ' 121' ' ' THR . 44.4 m-85 -86.24 146.04 41.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.544 -1.207 . . . . 0.0 112.105 177.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.44 179.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 123.562 2.841 . . . . 0.0 116.872 -175.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.4 113.15 1.8 Allowed 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 121.7 1.6 . . . . 0.0 112.57 170.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.89 81.37 0.08 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.159 -1.837 . . . . 0.0 112.659 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -102.05 137.47 40.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.268 -1.466 . . . . 0.0 110.868 -175.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.67 161.03 0.42 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 111.66 -2.518 . . . . 0.0 111.356 162.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.07 -19.55 5.64 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.26 1.307 . . . . 0.0 113.916 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.03 -29.78 62.09 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.132 -171.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -62.88 -38.49 91.09 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.278 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 m -79.61 -31.63 41.72 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.706 2.504 . . . . 0.0 109.818 -170.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.27 -43.59 43.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.153 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.39 -30.87 63.56 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.304 29.5 t70 -69.76 -28.67 65.96 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 126.146 2.154 . . . . 0.0 112.259 168.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.464 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -72.22 -36.95 69.29 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.063 173.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -65.58 -50.29 65.68 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.962 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.5 -57.02 14.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.65 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.7 -47.21 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.867 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.454 HD12 ' SD ' ' A' ' 130' ' ' MET . 63.6 mt -89.36 10.81 21.06 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.546 1.154 . . . . 0.0 111.685 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.45 68.54 1.61 Allowed Glycine 0 C--N 1.357 1.706 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.854 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -145.32 3.13 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.949 -1.625 . . . . 0.0 113.793 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.912 -170.957 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 122.092 0.949 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 109.97 21.86 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 111.957 -2.383 . . . . 0.0 106.906 167.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 53' ' ' THR . 98.7 m -89.16 134.3 34.07 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.973 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -111.31 122.93 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.93 -3.305 . . . . 0.0 103.857 162.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.571 HG13 HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -100.03 143.25 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 CA-C-N 109.862 -3.335 . . . . 0.0 105.136 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.35 128.71 38.25 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.283 -1.767 . . . . 0.0 107.597 164.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 145.72 16.07 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.538 -2.574 . . . . 0.0 109.203 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -97.59 120.37 46.84 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 117.522 -1.671 . . . . 0.0 107.28 170.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tt -99.05 141.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 112.166 -2.288 . . . . 0.0 108.696 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . . . . . . 0 CA--C 1.533 1.188 0 CA-C-N 111.208 -2.724 . . . . 0.0 108.314 -160.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 CA--C 1.537 0.442 0 CA-C-O 122.25 1.024 . . . . 0.0 112.768 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -78.22 -26.75 47.52 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 111.864 -2.426 . . . . 0.0 111.736 -172.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.629 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.7 m-30 -70.22 -36.89 74.85 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.032 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -35.87 79.35 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.421 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.35 -20.68 66.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.763 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.09 8.68 44.41 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 123.943 0.777 . . . . 0.0 110.145 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.03 79.67 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 113.818 -1.537 . . . . 0.0 112.148 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.39 139.72 30.74 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.99 104.87 8.82 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.629 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.0 t -125.92 108.74 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.756 -1.565 . . . . 0.0 107.992 -165.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -102.87 120.72 53.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-N 110.449 -3.069 . . . . 0.0 107.662 -176.551 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.81 100.08 11.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 112.897 -1.956 . . . . 0.0 106.594 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.78 -29.39 33.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.86 -166.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.42 171.88 13.13 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.944 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.38 125.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 111.637 -2.282 . . . . 0.0 107.799 167.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 tp -163.65 145.4 9.35 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 113.868 -1.515 . . . . 0.0 108.919 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 97.5 p -66.9 0.66 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.737 -2.483 . . . . 0.0 114.476 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -150.45 148.13 28.38 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.922 3.248 . . . . 0.0 115.463 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 47' ' ' ILE . 10.6 mt-30 -50.87 -28.8 10.32 Favored 'General case' 0 C--O 1.214 -0.794 1 CA-C-N 106.154 -5.021 . . . . 0.0 111.492 170.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -37.59 50.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.98 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -83.44 -29.12 28.32 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.728 1.267 . . . . 0.0 111.755 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.02 -41.19 51.75 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -69.42 -32.73 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.808 168.552 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -63.78 -28.57 69.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 117.125 -1.83 . . . . 0.0 111.882 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.779 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.18 -28.67 65.51 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.834 165.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -73.7 -30.46 62.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 170.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.26 -33.42 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -75.29 -50.82 14.87 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.643 -1.617 . . . . 0.0 112.071 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -87.38 -37.67 16.86 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 110.91 -2.859 . . . . 0.0 111.82 -167.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 53' ' ' THR . 53.4 mttp 82.88 79.92 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 111.734 -2.485 . . . . 0.0 110.177 -168.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.37 141.6 39.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 112.081 -2.327 . . . . 0.0 111.996 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.51 -31.3 16.81 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.012 -1.903 . . . . 0.0 110.095 154.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.6 pt? -140.44 145.1 36.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 122.883 1.325 . . . . 0.0 112.558 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.1 mt -124.48 130.61 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 111.087 -2.778 . . . . 0.0 107.012 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.53 141.11 48.15 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.245 -1.798 . . . . 0.0 110.356 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.67 126.58 65.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 CA-C-N 111.356 -2.656 . . . . 0.0 107.296 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 112.93 23.95 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.462 -1.699 . . . . 0.0 108.885 -175.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -101.38 121.41 41.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.749 -2.023 . . . . 0.0 108.963 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 112.324 -2.216 . . . . 0.0 108.041 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 114.496 0.558 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.18 -33.89 68.02 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 122.911 1.339 . . . . 0.0 110.017 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.43 -44.04 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 111.156 -2.747 . . . . 0.0 110.556 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.85 -56.05 5.04 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.978 -1.465 . . . . 0.0 112.533 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.5 p -78.22 -26.7 47.53 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 112.276 -2.238 . . . . 0.0 114.236 -159.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.42 127.99 34.96 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.026 0.917 . . . . 0.0 111.104 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.38 14.51 27.82 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.63 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -31.27 59.59 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.577 0.81 . . . . 0.0 111.876 159.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -40.79 98.7 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 115.877 -2.329 . . . . 0.0 109.822 173.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.36 20.0 tp10 -77.79 -26.77 49.92 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -76.45 -29.94 57.15 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 124.899 1.375 . . . . 0.0 112.822 165.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 14.0 t -77.58 -29.02 51.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 123.628 1.68 . . . . 0.0 112.297 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.02 -42.95 62.67 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 110.986 -2.824 . . . . 0.0 109.235 172.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 34.8 mt-10 -73.24 -29.57 62.86 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 109.58 -3.464 . . . . 0.0 113.289 -176.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.7 -2.95 25.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 113.085 -1.871 . . . . 0.0 112.663 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 21.78 75.66 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.467 -171.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 50' ' ' ALA . 35.8 mt -108.53 23.33 14.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.724 -1.738 . . . . 0.0 109.875 -175.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.7 114.44 9.79 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 122.466 1.127 . . . . 0.0 110.407 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.6 -30.47 0.76 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 111.887 -2.415 . . . . 0.0 107.925 -172.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.6 mp -64.95 129.7 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 111.46 -2.37 . . . . 0.0 110.25 167.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -94.02 144.34 25.55 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 110.346 -3.115 . . . . 0.0 109.159 161.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.9 mt -115.27 135.22 54.39 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 122.88 1.324 . . . . 0.0 112.249 -172.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -107.93 146.29 32.6 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 110.97 -2.832 . . . . 0.0 108.165 166.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.47 123.97 33.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.839 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.7 152.07 18.78 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 124.153 0.908 . . . . 0.0 112.425 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.48 17.01 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 112.267 -1.967 . . . . 0.0 111.031 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -89.49 84.73 6.41 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.054 -1.573 . . . . 0.0 108.637 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 116' ' ' VAL . 10.1 pt -105.34 -26.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.941 -167.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.348 0.542 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.278 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.5 m-90 . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 121.005 3.705 . . . . 0.0 121.005 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 CA-C-N 120.559 1.235 . . . . 0.0 114.589 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.17 -36.88 34.39 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.959 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.86 -41.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 124.021 0.826 . . . . 0.0 111.04 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.02 -28.16 61.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.122 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.34 -34.98 78.89 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 118.856 -1.138 . . . . 0.0 111.59 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.81 -53.11 12.39 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.637 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -75.09 -28.96 60.49 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.785 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -81.03 -31.97 34.31 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.837 1.335 . . . . 0.0 111.421 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.83 -28.01 69.26 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.729 1.268 . . . . 0.0 111.126 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.6 mmt -80.29 -44.42 19.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.374 -1.739 . . . . 0.0 110.391 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 153.88 -22.96 0.7 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 119.759 -1.21 . . . . 0.0 114.904 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -69.53 115.94 9.36 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 121.393 0.616 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -53.43 -47.26 69.81 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.371 -171.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.27 156.08 43.61 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.497 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 94' ' ' ILE . 88.9 t -119.36 131.8 70.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 112.115 -2.311 . . . . 0.0 109.527 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.84 137.57 19.83 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 124.948 1.405 . . . . 0.0 109.847 161.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -64.08 -178.11 0.56 Allowed 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 121.861 1.707 . . . . 0.0 113.314 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.57 123.3 2.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.656 1.57 . . . . 0.0 108.929 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.74 47.86 3.08 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.825 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.5 m -102.04 137.4 40.37 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.1 -1.55 . . . . 0.0 108.782 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -56.3 162.59 3.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 O-C-N 125.353 1.658 . . . . 0.0 110.262 163.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.07 -14.62 8.43 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.148 1.232 . . . . 0.0 114.018 170.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.96 -29.73 65.81 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.746 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -67.04 -36.07 81.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 112.944 -1.935 . . . . 0.0 112.437 175.325 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 6.2 m -79.45 -33.31 42.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.218 2.199 . . . . 0.0 108.775 -171.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.96 -41.16 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 112.013 -2.358 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.95 63.87 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 125.301 1.626 . . . . 0.0 110.427 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 60.5 t0 -62.47 -55.16 30.25 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.337 -2.21 . . . . 0.0 112.013 171.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.1 ptp -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.49 -57.1 10.15 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.077 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -63.49 -33.74 76.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.295 -1.775 . . . . 0.0 113.997 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.2 t -71.15 -43.03 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.848 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.18 3.52 23.37 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.329 1.018 . . . . 0.0 111.791 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.61 53.9 4.16 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.036 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.0 160.71 23.19 Favored 'Isoleucine or valine' 0 C--N 1.349 0.568 0 CA-C-N 112.497 -1.852 . . . . 0.0 106.477 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.527 178.036 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.98 109.79 20.56 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.563 -1.653 . . . . 0.0 107.092 167.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 53' ' ' THR . 78.9 m -95.31 133.14 39.55 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.215 166.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.45 129.8 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.947 0 CA-C-N 109.744 -3.389 . . . . 0.0 104.39 162.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.633 HG13 HG21 ' A' ' 37' ' ' ILE 0.252 1.1 t -110.25 134.62 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 CA-C-N 110.498 -3.046 . . . . 0.0 104.979 -175.638 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.52 128.56 37.58 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 115.4 -2.52 . . . . 0.0 109.474 171.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.31 145.86 16.02 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 111.684 -2.507 . . . . 0.0 111.001 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.62 120.3 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 117.309 -1.756 . . . . 0.0 106.955 165.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -96.85 144.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 112.238 -2.255 . . . . 0.0 108.649 -170.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.128 0 CA-C-N 111.643 -2.526 . . . . 0.0 108.422 -166.791 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 121.345 0.593 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -64.5 -35.87 82.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 113.129 -1.851 . . . . 0.0 112.631 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 126' ' ' THR . 6.8 m-30 -73.99 -37.53 64.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.499 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -34.85 78.78 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.139 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.59 -20.46 62.0 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.682 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.36 1.7 27.83 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.913 0.758 . . . . 0.0 111.014 -168.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.01 20.17 76.31 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.599 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -90.74 153.69 20.08 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 117.676 -1.609 . . . . 0.0 107.364 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 104.89 8.79 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.81 108.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.569 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -101.22 111.05 29.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 110.195 -3.184 . . . . 0.0 106.765 178.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.84 103.19 14.36 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.239 -1.801 . . . . 0.0 107.256 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.91 -29.46 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 111.752 -2.477 . . . . 0.0 112.117 -165.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.18 145.54 4.15 Favored Glycine 0 C--N 1.354 1.532 0 O-C-N 124.954 1.409 . . . . 0.0 111.525 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -80.9 132.7 31.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 112.351 -1.925 . . . . 0.0 106.685 162.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 tt 73.72 124.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.759 0 O-C-N 125.562 1.788 . . . . 0.0 108.526 -159.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -159.79 176.44 11.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.718 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.01 161.75 39.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.094 166.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -51.67 -28.97 16.3 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.805 1.316 . . . . 0.0 113.493 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.32 -34.6 68.91 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.902 1.376 . . . . 0.0 112.559 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -82.56 -37.03 25.7 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.081 -1.872 . . . . 0.0 112.55 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CE2' HG13 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.31 -34.55 59.03 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 122.712 1.244 . . . . 0.0 113.181 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mt -50.6 -46.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 110.488 -3.051 . . . . 0.0 111.352 159.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -67.16 -34.16 76.97 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.694 1.246 . . . . 0.0 111.359 -170.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.796 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.1 -28.78 61.52 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 116.829 -1.558 . . . . 0.0 112.026 171.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -73.88 -30.44 62.63 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 119.001 -1.079 . . . . 0.0 113.365 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.23 -36.35 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.03 -50.83 29.78 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.625 -1.625 . . . . 0.0 111.498 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.65 -38.94 13.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 110.149 -3.205 . . . . 0.0 111.384 -166.631 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' HG23 ' A' ' 53' ' ' THR . 6.8 mtmp? 82.62 83.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.774 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.172 -164.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.64 134.65 45.22 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 112.432 -2.167 . . . . 0.0 111.197 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.39 -32.78 16.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.956 158.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.311 2.5 pt? -140.36 145.13 36.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.185 1.469 . . . . 0.0 111.633 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.54 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 20.5 mt -126.53 120.75 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 110.6 -3.0 . . . . 0.0 107.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.8 t -115.14 138.47 50.87 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.053 -1.885 . . . . 0.0 109.096 -174.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -123.51 135.94 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.459 -178.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.27 112.64 25.6 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 112.602 -2.09 . . . . 0.0 106.757 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.1 p -115.97 136.95 52.56 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.133 -171.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 113.847 -1.524 . . . . 0.0 112.423 -156.531 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 CA-C-O 122.066 0.814 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.55 -28.01 63.56 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 112.81 -1.695 . . . . 0.0 111.433 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -91.1 -44.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 113.808 -1.542 . . . . 0.0 110.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.35 -41.72 39.32 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.2 -168.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.22 -45.61 22.54 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.018 1.449 . . . . 0.0 111.712 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -69.22 134.14 48.83 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.138 -171.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.88 10.79 71.62 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 112.837 -1.983 . . . . 0.0 112.542 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 tp -75.26 -25.66 58.21 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 125.024 1.073 . . . . 0.0 109.253 154.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -57.66 -53.99 51.96 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 113.93 -1.486 . . . . 0.0 109.815 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.372 11.5 mp0 -77.48 -26.28 51.16 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 176.683 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.398 20.9 ttmt -76.31 -29.18 57.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 125.2 1.563 . . . . 0.0 112.997 170.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.12 -38.2 52.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 123.473 1.606 . . . . 0.0 110.826 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.65 -43.65 98.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 110.247 -3.16 . . . . 0.0 109.001 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.337 2.3 pt-20 -73.27 -29.84 63.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.644 -2.98 . . . . 0.0 112.863 -177.521 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.75 3.0 7.09 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.645 -2.071 . . . . 0.0 112.813 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.19 35.95 32.64 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.696 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 86' ' ' ILE . 32.9 mt -135.23 71.96 1.44 Allowed 'General case' 0 C--N 1.347 0.489 0 CA-C-N 111.716 -2.242 . . . . 0.0 107.325 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -102.22 117.68 35.27 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.076 -1.874 . . . . 0.0 108.148 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.05 -20.57 2.12 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.498 -174.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.489 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.92 124.71 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-N 111.685 -2.258 . . . . 0.0 109.611 170.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.32 135.85 33.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 109.445 -3.525 . . . . 0.0 108.024 161.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.54 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 15.2 mt -109.96 134.9 51.61 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.979 1.371 . . . . 0.0 111.307 -175.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -107.62 136.21 47.76 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.234 -3.166 . . . . 0.0 106.328 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 p -135.25 123.79 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 112.189 -2.278 . . . . 0.0 105.72 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.61 152.08 22.77 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 118.397 -1.858 . . . . 0.0 113.157 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.71 -149.51 19.39 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 109.506 -3.347 . . . . 0.0 110.04 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -78.82 95.71 5.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.382 1.086 . . . . 0.0 109.86 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.0 pt -89.44 -43.99 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.339 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.348 0.542 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 174.048 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.572 1.5 m-90 . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.98 -39.9 40.46 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.857 1.342 . . . . 0.0 114.356 167.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.25 -45.04 18.64 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.449 -2.159 . . . . 0.0 112.543 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.0 -34.91 33.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 O-C-N 124.528 1.142 . . . . 0.0 111.716 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.03 -38.4 64.04 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.698 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -60.37 -33.33 72.3 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 118.556 -1.258 . . . . 0.0 111.575 174.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -75.24 -53.13 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.001 -176.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.04 -41.44 59.11 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.395 -168.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.28 -28.89 65.56 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.071 -1.877 . . . . 0.0 112.275 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.33 69.51 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.974 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.4 mmt -70.78 -39.03 73.43 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.395 1.059 . . . . 0.0 109.719 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.06 10.9 0.72 Allowed Glycine 0 C--N 1.355 1.607 0 CA-C-N 113.915 -1.493 . . . . 0.0 113.757 166.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.01 137.33 58.24 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.53 -52.88 59.26 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -144.87 141.26 28.94 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.734 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.26 113.7 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.296 -175.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -103.18 147.19 33.77 Favored Pre-proline 0 C--N 1.361 1.079 0 O-C-N 124.515 1.135 . . . . 0.0 113.407 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.33 169.73 9.66 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.806 2.338 . . . . 0.0 112.101 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.85 116.68 3.71 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 121.72 1.613 . . . . 0.0 111.772 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.71 74.17 1.27 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.898 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.06 137.29 40.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.778 -1.711 . . . . 0.0 107.96 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.34 156.07 77.65 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.321 164.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 -19.27 5.8 Favored 'Trans proline' 0 C--N 1.356 0.928 0 O-C-N 123.384 1.202 . . . . 0.0 115.079 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.96 -29.79 65.89 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.314 1.009 . . . . 0.0 110.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -33.08 71.25 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 112.674 -2.057 . . . . 0.0 112.28 176.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 1.6 m -79.13 -35.81 41.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 126.017 2.073 . . . . 0.0 108.787 -172.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.12 -33.01 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 110.973 -2.83 . . . . 0.0 109.524 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.37 -40.6 64.25 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.226 173.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 133' ' ' VAL 0.384 6.7 p30 -74.39 -33.99 63.19 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 114.054 -3.058 . . . . 0.0 114.182 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.9 -33.54 76.08 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.904 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.06 -57.27 4.15 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.911 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -57.64 -34.27 69.16 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.843 -1.526 . . . . 0.0 114.647 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 129' ' ' ASP . 25.1 t -68.53 -43.55 83.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.1 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.9 mt -98.05 19.91 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.587 1.179 . . . . 0.0 112.15 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.62 5.61 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.149 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.93 160.23 5.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-N 112.571 -1.815 . . . . 0.0 106.961 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.517 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.834 0.826 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -87.67 109.86 19.99 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 112.642 -2.072 . . . . 0.0 107.367 164.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 53' ' ' THR . 37.6 m -97.21 127.58 43.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.604 -1.635 . . . . 0.0 107.823 166.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 123.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 110.333 -3.121 . . . . 0.0 104.119 160.213 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 37' ' ' ILE 0.314 1.1 t -99.93 133.88 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 CA-C-N 109.313 -3.585 . . . . 0.0 102.566 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.76 129.05 38.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 115.964 -2.294 . . . . 0.0 109.565 169.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.03 145.82 16.07 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 112.578 -2.101 . . . . 0.0 109.694 170.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HB ' HG12 ' A' ' 39' ' ' VAL . 89.1 t -97.6 120.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 171.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.424 HG21 ' SG ' ' A' ' 71' ' ' CYS . 6.6 tt -103.06 117.98 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 111.443 -2.617 . . . . 0.0 108.8 -163.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.981 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.571 177.37 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -74.01 -38.97 63.91 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 124.645 1.216 . . . . 0.0 111.764 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' HB3' HG21 ' A' ' 34' ' ' VAL . 12.6 m-30 -75.47 -37.57 60.17 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.239 -1.8 . . . . 0.0 111.031 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -35.42 77.79 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.373 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.5 -20.62 63.72 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.132 -2.304 . . . . 0.0 112.682 174.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 6.74 23.58 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.743 0.652 . . . . 0.0 111.063 -170.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.292 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -98.23 137.9 36.3 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -77.93 104.65 8.62 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.579 HG22 HG23 ' A' ' 6' ' ' ILE . 76.5 t -122.53 109.71 24.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 C-N-CA 117.985 -1.486 . . . . 0.0 109.549 -162.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.7 t -90.96 110.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 110.287 -3.142 . . . . 0.0 107.061 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.0 102.13 14.44 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.824 1.297 . . . . 0.0 108.162 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -72.14 -30.79 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 110.845 -2.889 . . . . 0.0 112.104 -162.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 163.55 11.13 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.961 -1.472 . . . . 0.0 109.881 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 10' ' ' VAL . 15.6 m -109.17 117.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.77 -1.715 . . . . 0.0 109.872 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp 158.81 143.44 0.01 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.844 2.458 . . . . 0.0 106.089 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 11' ' ' ILE . 29.0 t -74.06 125.69 28.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 113.876 -1.511 . . . . 0.0 110.058 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 171.86 93.96 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 111.653 -2.521 . . . . 0.0 106.748 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.23 -28.96 68.43 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.543 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.64 -25.82 63.1 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 125.024 1.453 . . . . 0.0 113.018 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -35.37 16.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.848 1.342 . . . . 0.0 111.997 -175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -38.11 56.96 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 122.622 1.201 . . . . 0.0 110.104 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.34 -32.9 56.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 110.572 -3.013 . . . . 0.0 110.88 165.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.79 -36.61 84.86 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 118.439 -1.305 . . . . 0.0 110.308 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.03 -28.66 61.53 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 116.637 -1.649 . . . . 0.0 112.628 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.34 -30.45 53.96 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 118.4 -1.32 . . . . 0.0 113.097 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.88 -36.39 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.77 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.96 -50.88 29.67 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.649 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -92.01 -33.62 14.76 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 110.636 -2.984 . . . . 0.0 112.538 -167.55 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 80.73 75.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 CA-C-N 111.399 -2.637 . . . . 0.0 109.005 -168.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.8 135.68 56.82 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 111.952 -2.386 . . . . 0.0 110.626 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.38 -30.82 17.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.775 159.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.299 2.7 pt? -140.48 145.21 36.63 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.797 -1.547 . . . . 0.0 111.334 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 86' ' ' ILE . 96.7 mt -124.12 127.58 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 111.263 -2.699 . . . . 0.0 106.136 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -115.02 140.65 48.88 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.706 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 121.8 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 111.08 -2.782 . . . . 0.0 107.598 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.76 113.17 25.16 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.125 1.515 . . . . 0.0 107.378 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 67' ' ' GLY . 1.4 t -100.81 155.68 17.79 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.613 1.197 . . . . 0.0 110.214 -173.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.351 0.664 0 CA-C-N 111.298 -2.683 . . . . 0.0 110.705 -170.745 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.61 ' N ' ' HG ' ' A' ' 62' ' ' SER . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.34 -27.89 60.89 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.375 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.252 47.4 mm -91.13 -45.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.007 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -78.26 -56.49 4.42 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 112.752 -2.022 . . . . 0.0 113.878 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' ILE . 58.9 m -78.27 -25.99 46.95 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.941 -156.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 113.88 3.49 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.608 1.193 . . . . 0.0 111.614 -165.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.47 27.37 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.181 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.74 -26.04 57.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.899 1.0 . . . . 0.0 112.338 157.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -73.05 -37.96 66.65 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 117.568 -1.653 . . . . 0.0 108.653 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.375 31.5 tt0 -77.49 -26.36 51.19 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 174.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.295 27.3 mmtp -76.29 -29.29 57.33 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 125.365 1.666 . . . . 0.0 112.642 165.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.62 -36.9 57.17 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 125.269 1.605 . . . . 0.0 110.411 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.53 -43.69 96.4 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 110.671 -2.968 . . . . 0.0 109.953 173.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 24.1 mm-40 -73.12 -29.71 63.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 109.45 -3.523 . . . . 0.0 112.412 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.88 0.15 14.21 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.197 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.6 39.09 30.68 Favored Glycine 0 C--N 1.352 1.472 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 86' ' ' ILE . 47.2 mt -140.75 54.37 1.59 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 111.561 -2.319 . . . . 0.0 107.544 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 116.69 29.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.071 -1.877 . . . . 0.0 108.79 172.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.37 -28.44 1.21 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 111.938 -2.392 . . . . 0.0 107.521 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 58' ' ' ILE . 1.9 mp -65.24 124.77 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 111.948 -2.126 . . . . 0.0 109.949 167.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -91.01 137.57 32.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.755 163.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.479 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.1 mt -109.88 134.36 52.15 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 123.597 1.665 . . . . 0.0 110.878 -177.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -107.81 132.72 53.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 109.622 -3.445 . . . . 0.0 106.006 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 123.33 33.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.78 152.26 20.66 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 113.423 -1.717 . . . . 0.0 114.075 -160.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.85 -143.29 16.44 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 110.593 -2.804 . . . . 0.0 109.412 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.92 120.82 23.32 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 166.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.22 -24.9 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 124.86 1.35 . . . . 0.0 111.552 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 95' ' ' VAL . 62.4 t . . . . . 0 C--N 1.35 0.616 0 CA-C-O 122.494 1.14 . . . . 0.0 112.539 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.564 1.9 m-90 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.02 -43.75 29.59 Favored 'Trans proline' 0 CA--C 1.551 1.37 0 N-CA-C 115.945 1.479 . . . . 0.0 115.945 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -80.18 -30.03 38.75 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.565 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG13 HG21 ' A' ' 95' ' ' VAL . 70.3 t -75.4 -52.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.196 -172.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.3 -37.29 80.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.346 174.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.95 -45.56 90.16 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.71 1.256 . . . . 0.0 111.744 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -73.87 -53.31 10.48 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.319 1.012 . . . . 0.0 111.797 -170.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -50.23 64.92 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.2 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -73.5 -28.7 62.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.827 -2.442 . . . . 0.0 111.854 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.99 69.72 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 112.171 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.0 mmt -68.04 -54.11 20.77 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 118.882 -1.127 . . . . 0.0 109.128 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.51 6.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.553 0 CA-C-N 113.032 -1.895 . . . . 0.0 113.812 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.58 136.68 56.79 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-O 121.706 0.765 . . . . 0.0 109.325 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.01 -62.02 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 113.188 -1.824 . . . . 0.0 110.485 -172.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -145.17 147.98 33.07 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.971 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.13 115.69 46.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.001 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -85.08 135.79 39.07 Favored Pre-proline 0 C--N 1.351 0.65 0 CA-C-N 113.47 -1.695 . . . . 0.0 110.015 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -55.71 179.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.428 2.086 . . . . 0.0 114.917 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -62.86 115.79 3.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 121.176 1.251 . . . . 0.0 113.396 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.09 71.68 0.89 Allowed Glycine 0 C--N 1.352 1.439 0 CA-C-N 113.637 -1.62 . . . . 0.0 112.776 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.17 137.5 40.36 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.659 -1.771 . . . . 0.0 111.6 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -48.9 159.3 0.57 Allowed Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.5 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.07 -14.14 8.69 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.475 1.45 . . . . 0.0 113.005 174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.98 62.15 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.312 -173.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -31.68 70.76 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.621 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 -39.98 31.78 Favored 'General case' 0 N--CA 1.437 -1.081 0 O-C-N 126.485 2.366 . . . . 0.0 108.981 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.2 -34.03 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 110.773 -2.921 . . . . 0.0 109.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.35 65.56 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.428 -1.714 . . . . 0.0 111.481 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 133' ' ' VAL 0.476 23.0 p30 -77.03 -29.02 55.12 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 113.291 -3.364 . . . . 0.0 115.046 176.088 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.0 ptp -72.73 -29.76 63.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.899 173.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.24 -57.16 8.17 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.113 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.48 -45.32 92.0 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.924 -1.944 . . . . 0.0 114.555 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 129' ' ' ASP . 38.9 t -65.79 -46.3 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.274 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.5 mt -82.87 -1.76 52.92 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.186 -1.37 . . . . 0.0 112.11 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.27 71.61 1.07 Allowed Glycine 0 C--N 1.356 1.67 0 O-C-N 124.223 0.952 . . . . 0.0 110.807 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.0 t -143.89 165.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 112.426 -1.887 . . . . 0.0 107.058 -171.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.937 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -95.23 109.67 21.76 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 98.1 m -93.83 139.48 30.82 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.557 -2.111 . . . . 0.0 107.043 169.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -113.84 133.21 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 110.609 -2.996 . . . . 0.0 105.531 163.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 5' ' ' THR . 1.0 OUTLIER -122.77 116.88 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 111.157 -2.747 . . . . 0.0 105.406 -167.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.9 pp -132.3 128.99 38.94 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.223 -2.591 . . . . 0.0 110.924 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.21 145.37 15.86 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 111.137 -2.756 . . . . 0.0 109.264 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 61' ' ' SER . 14.6 t -97.92 121.0 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 168.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -96.72 121.8 47.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.198 -163.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.325 0 CA-C-N 111.292 -2.686 . . . . 0.0 111.065 169.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.283 0.564 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -75.7 -26.87 57.94 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.622 -174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' A' ' 126' ' ' THR . 12.7 m-85 -67.21 -36.4 81.62 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.635 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.72 84.4 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.903 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -68.86 -20.61 64.28 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.461 -2.154 . . . . 0.0 112.767 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.6 3.35 41.15 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.964 0.79 . . . . 0.0 110.522 -168.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.19 21.05 78.67 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.58 -1.645 . . . . 0.0 111.035 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.08 143.7 26.13 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -77.92 104.83 8.72 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 6' ' ' ILE . 94.2 t -124.06 108.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 CA-C-N 113.878 -1.51 . . . . 0.0 107.957 -170.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -98.45 110.75 26.55 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.057 174.751 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.15 104.78 17.3 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.788 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.45 -13.75 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 111.982 -2.372 . . . . 0.0 112.0 -170.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.11 170.05 23.18 Favored Glycine 0 C--N 1.357 1.741 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.686 163.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -80.91 149.06 5.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 112.089 -2.056 . . . . 0.0 108.961 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 tp 57.82 86.26 0.08 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.023 -1.899 . . . . 0.0 110.692 -174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -159.27 162.93 36.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 109.98 -3.282 . . . . 0.0 106.971 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -151.81 178.89 8.92 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.208 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -47.99 -28.83 2.98 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -163.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -60.92 -39.27 88.76 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.172 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -81.09 -32.63 33.8 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.986 -1.461 . . . . 0.0 113.124 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.855 ' CE2' HG12 ' A' ' 60' ' ' VAL . 21.0 m-85 -74.05 -48.18 31.73 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.563 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 74' ' ' LEU . 5.3 pt -59.25 -32.87 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 113.242 -1.799 . . . . 0.0 111.028 169.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -68.06 -29.03 67.89 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 125.24 1.587 . . . . 0.0 110.823 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.864 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.02 -28.84 61.63 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 115.701 -2.095 . . . . 0.0 112.135 170.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -74.51 -30.67 61.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.339 1.427 . . . . 0.0 113.548 173.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' A' ' 81' ' ' ALA . 33.7 mt -70.39 -36.06 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 113.527 -1.67 . . . . 0.0 108.15 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.11 -51.07 11.65 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.695 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 1.4 t -84.05 -39.55 19.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.59 -2.55 . . . . 0.0 112.634 -165.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' HG23 ' A' ' 53' ' ' THR . 29.3 mtpt 91.05 66.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 126.851 2.595 . . . . 0.0 110.608 -167.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -86.06 137.47 32.67 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.363 -1.744 . . . . 0.0 110.803 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.32 -24.35 20.9 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.485 165.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.2 pt? -140.29 145.04 36.75 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 123.417 1.579 . . . . 0.0 112.853 -175.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.637 ' HB ' HD22 ' A' ' 88' ' ' LEU . 58.9 mt -127.96 107.82 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 110.031 -3.259 . . . . 0.0 108.575 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.8 m -103.62 114.67 29.11 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.628 1.205 . . . . 0.0 111.26 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.855 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.1 m -97.72 148.18 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 122.113 0.958 . . . . 0.0 109.557 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.478 ' HB2' HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -115.1 117.33 30.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 112.039 -2.346 . . . . 0.0 108.506 -179.121 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 t -100.98 164.27 11.9 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 122.398 1.094 . . . . 0.0 109.206 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.54 0.591 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.096 -165.922 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.221 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -39.85 48.28 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-O 122.54 1.162 . . . . 0.0 109.552 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.33 -32.34 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 111.749 -2.478 . . . . 0.0 110.44 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.33 -35.11 68.5 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.102 -1.408 . . . . 0.0 110.016 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.7 t -51.63 -38.94 56.98 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.117 -172.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 111.86 14.41 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.74 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.82 78.85 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 111.837 -2.438 . . . . 0.0 115.877 153.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 47' ' ' ILE . 7.4 tp -75.78 -25.97 56.93 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.339 1.069 . . . . 0.0 111.186 152.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -57.83 -50.45 73.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.992 1.432 . . . . 0.0 109.984 166.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 27.8 mt-10 -77.6 -26.46 50.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.285 32.5 mmtp -76.51 -29.46 56.8 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 125.137 1.523 . . . . 0.0 112.966 168.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 83' ' ' LEU . 47.4 t -77.08 -40.2 46.92 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 125.675 1.86 . . . . 0.0 109.596 174.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.82 -39.65 93.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 110.439 -3.073 . . . . 0.0 110.078 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 27.8 mt-10 -73.09 -29.46 62.94 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 110.384 -3.098 . . . . 0.0 112.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 51' ' ' ILE . . . -73.58 -0.34 14.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.4 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.02 17.76 79.85 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.244 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 HG13 ' A' ' 51' ' ' ILE . 35.5 mt -90.79 -25.81 19.76 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 113.243 -1.479 . . . . 0.0 111.519 -173.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 114.0 0.12 Allowed 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.798 1.936 . . . . 0.0 114.02 -170.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.35 -27.48 0.78 Allowed Glycine 0 C--N 1.344 0.994 0 CA-C-N 111.062 -2.79 . . . . 0.0 107.605 -170.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 HD23 ' A' ' 88' ' ' LEU . 1.3 mp -64.99 136.23 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 111.574 -2.313 . . . . 0.0 110.42 166.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.56 134.22 34.23 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 108.928 -3.76 . . . . 0.0 108.046 162.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.8 mt -109.8 137.17 47.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-O 123.329 1.538 . . . . 0.0 108.871 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -107.48 146.18 32.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 110.208 -3.178 . . . . 0.0 107.821 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.26 123.82 34.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 113.032 -1.895 . . . . 0.0 107.674 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.01 23.89 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 113.815 -1.539 . . . . 0.0 110.967 -171.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.4 108.24 0.24 Allowed Glycine 0 CA--C 1.536 1.351 0 CA-C-N 112.351 -1.924 . . . . 0.0 111.825 170.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 56.83 53.74 7.9 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 122.414 1.102 . . . . 0.0 110.246 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 pt -75.24 -55.95 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 111.866 -2.425 . . . . 0.0 112.561 -161.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.349 0.564 0 CA-C-O 123.853 1.787 . . . . 0.0 110.361 -163.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.3 1.9 m-90 . . . . . 0 CA--C 1.545 0.754 0 N-CA-C 119.305 3.076 . . . . 0.0 119.305 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 -39.24 91.07 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 114.924 1.086 . . . . 0.0 114.924 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.99 -43.07 22.65 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.859 -1.973 . . . . 0.0 111.597 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.76 -57.95 8.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 113.89 -1.504 . . . . 0.0 110.246 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.46 -28.35 69.15 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.186 1.554 . . . . 0.0 112.528 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -57.77 -43.02 85.25 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 118.155 -1.418 . . . . 0.0 111.449 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -78.1 -37.91 45.28 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.937 -1.483 . . . . 0.0 112.494 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.04 -39.37 61.07 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.09 0.869 . . . . 0.0 111.189 -171.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -71.23 -28.63 64.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.944 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.93 67.94 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 124.158 0.911 . . . . 0.0 112.073 173.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 22.8 mmt -74.87 -37.08 62.26 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 124.153 0.908 . . . . 0.0 109.584 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.46 -17.4 3.76 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-N 112.776 -2.011 . . . . 0.0 112.406 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.17 115.8 5.35 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 122.004 0.907 . . . . 0.0 109.231 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.39 -37.39 71.57 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.745 -2.48 . . . . 0.0 111.892 -161.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -140.96 147.49 38.85 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 124.976 1.422 . . . . 0.0 110.874 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.34 113.94 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 110.649 -2.978 . . . . 0.0 110.077 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.439 ' HB3' HG21 ' A' ' 121' ' ' THR . 29.1 m-85 -93.05 146.5 32.09 Favored Pre-proline 0 C--N 1.36 1.062 0 O-C-N 124.043 0.839 . . . . 0.0 111.371 168.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -62.81 -178.86 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 122.086 1.857 . . . . 0.0 114.961 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.89 120.98 6.96 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 122.452 2.101 . . . . 0.0 111.485 162.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.49 66.19 2.21 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.589 -1.641 . . . . 0.0 111.384 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -96.89 137.73 35.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 111.943 -2.128 . . . . 0.0 109.313 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.7 149.13 4.62 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.291 158.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.06 -9.91 10.47 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 121.043 1.162 . . . . 0.0 113.497 173.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.28 -29.71 68.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -70.93 -36.66 72.73 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 113.38 -1.737 . . . . 0.0 112.382 177.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.41 -32.78 42.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 126.285 2.24 . . . . 0.0 109.194 -173.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.3 mt -75.15 -39.76 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.728 -2.487 . . . . 0.0 110.414 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.62 64.22 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.348 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.3 t0 -63.99 -55.18 24.24 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 116.447 -2.101 . . . . 0.0 112.732 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.5 ptp -65.32 -33.09 75.15 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.986 0.804 . . . . 0.0 112.305 -173.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.93 -56.73 5.59 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.373 -1.74 . . . . 0.0 109.769 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.05 -37.35 82.33 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.94 -38.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.878 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.09 -4.33 58.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.495 1.122 . . . . 0.0 111.876 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.33 79.15 0.36 Allowed Glycine 0 C--N 1.353 1.52 0 O-C-N 124.297 0.998 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.82 155.85 8.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.926 -1.637 . . . . 0.0 107.661 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 CA--C 1.543 0.684 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.563 -179.213 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 109.82 22.5 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 112.237 -2.256 . . . . 0.0 106.659 168.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 53' ' ' THR . 94.5 m -92.74 130.54 38.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 112.498 -2.137 . . . . 0.0 107.801 170.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 131.78 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 CA-C-N 110.313 -3.13 . . . . 0.0 104.87 160.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.26 1.2 t -117.36 136.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 109.832 -3.349 . . . . 0.0 103.618 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 129.16 38.66 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.603 -2.439 . . . . 0.0 108.771 167.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.05 145.84 16.07 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 111.863 -2.426 . . . . 0.0 110.824 173.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.43 120.63 47.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.82 144.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 111.364 -2.653 . . . . 0.0 112.13 -160.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.449 0 CA-C-N 111.35 -2.659 . . . . 0.0 111.246 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.219 -0.527 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -37.65 83.79 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.79 1.307 . . . . 0.0 112.034 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -76.0 -35.63 59.5 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.831 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.44 79.58 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.4 1.095 . . . . 0.0 109.436 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.26 -20.48 62.9 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 111.561 -2.563 . . . . 0.0 112.774 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 4.8 21.09 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 123.753 0.658 . . . . 0.0 110.677 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 17.26 74.56 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -92.56 156.16 17.31 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 117.294 -1.762 . . . . 0.0 108.9 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -77.84 104.98 8.72 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 162.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.54 108.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 113.207 -1.815 . . . . 0.0 107.684 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -100.71 117.36 45.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 110.401 -3.09 . . . . 0.0 106.9 179.143 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -85.83 100.97 12.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.744 -2.025 . . . . 0.0 106.683 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -41.0 80.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.389 -167.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.96 156.07 8.02 Favored Glycine 0 C--N 1.352 1.469 0 CA-C-N 113.049 -1.887 . . . . 0.0 111.184 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 t -80.9 170.13 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 110.69 -2.755 . . . . 0.0 105.514 159.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tp 83.96 38.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.328 1.018 . . . . 0.0 110.719 172.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -179.16 4.15 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.704 -170.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 m -153.38 -170.04 3.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.718 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.761 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.3 pt20 -48.01 -45.22 31.61 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -166.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.01 -24.95 63.37 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 124.433 1.083 . . . . 0.0 111.905 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.88 -31.4 40.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.659 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.58 -37.44 56.5 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.639 1.685 . . . . 0.0 112.166 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.89 -36.25 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.115 -3.675 . . . . 0.0 112.981 158.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -70.76 -28.83 64.98 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.083 0.864 . . . . 0.0 111.282 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.778 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.89 -28.67 64.71 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 116.527 -1.702 . . . . 0.0 111.596 164.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.55 65.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.595 -1.242 . . . . 0.0 113.879 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.5 mt -68.28 -36.94 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 172.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.12 -50.74 25.53 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.384 -1.734 . . . . 0.0 111.771 -172.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.26 -36.06 15.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.295 -3.139 . . . . 0.0 111.468 -167.755 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 53' ' ' THR . 63.1 mttm 80.79 79.84 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 CA-C-N 111.942 -2.39 . . . . 0.0 109.794 -166.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 139.35 49.98 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 112.477 -2.147 . . . . 0.0 111.886 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -90.36 -34.22 15.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.567 156.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.317 2.6 pt? -140.31 144.97 36.64 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 123.317 1.532 . . . . 0.0 112.916 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 44.2 mt -123.35 126.75 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 110.349 -3.114 . . . . 0.0 106.843 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 t -115.05 141.07 48.5 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.065 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.78 121.86 60.81 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 111.021 -2.809 . . . . 0.0 106.409 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 112.82 24.89 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 112.877 -1.965 . . . . 0.0 107.424 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 120.92 41.44 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.659 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.347 0.495 0 CA-C-N 112.416 -2.175 . . . . 0.0 109.112 -167.401 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.835 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -65.35 -27.93 68.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 125.023 1.072 . . . . 0.0 111.87 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.96 -44.61 92.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 O-C-N 124.753 1.283 . . . . 0.0 110.696 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -56.34 4.58 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.584 1.178 . . . . 0.0 111.853 173.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 71.2 m -56.75 -25.66 55.51 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.685 -2.052 . . . . 0.0 113.655 -164.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 112.0 0.91 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.695 1.247 . . . . 0.0 111.224 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.88 56.35 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.847 -1.979 . . . . 0.0 112.474 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 43' ' ' GLN . 37.7 tp -75.75 -26.23 57.24 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.432 0.724 . . . . 0.0 111.076 153.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -63.98 -45.24 89.96 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.368 169.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.326 27.9 mt-10 -77.49 -26.29 51.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -29.61 56.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.563 1.79 . . . . 0.0 111.894 167.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.34 -35.16 54.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.537 1.637 . . . . 0.0 110.858 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.62 -43.37 84.93 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 109.942 -3.299 . . . . 0.0 109.789 172.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.314 25.4 mm-40 -73.24 -29.77 63.0 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 109.898 -3.319 . . . . 0.0 112.845 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 0.54 12.89 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.832 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 38.77 34.67 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -141.23 47.15 1.71 Allowed 'General case' 0 C--N 1.347 0.5 0 CA-C-N 111.735 -2.233 . . . . 0.0 108.566 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 116.63 22.88 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.329 172.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.88 -28.83 0.92 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 112.311 -2.222 . . . . 0.0 107.944 -170.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.97 124.87 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 111.528 -2.336 . . . . 0.0 110.222 168.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -89.28 150.45 22.6 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 109.865 -3.334 . . . . 0.0 108.039 158.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.547 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 22.5 mt -125.82 137.72 53.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.675 1.226 . . . . 0.0 111.286 -170.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -107.81 132.51 53.34 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.532 170.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.02 123.6 34.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.97 152.16 24.0 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 112.951 -1.931 . . . . 0.0 113.407 -168.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.8 -146.38 16.3 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 110.743 -2.729 . . . . 0.0 108.589 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.91 -48.9 51.09 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.266 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.5 pt 49.39 35.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 111.103 -2.772 . . . . 0.0 112.892 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.347 0.483 0 CA-C-N 112.082 -2.326 . . . . 0.0 105.588 176.72 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.44 1.3 m-90 . . . . . 0 CA--C 1.559 1.321 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.8 -52.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.373 1.847 0 CA-C-N 123.246 2.195 . . . . 0.0 112.22 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.24 -29.92 38.46 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.94 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.97 -49.1 83.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.205 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -66.58 -33.76 76.38 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.606 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -61.54 -37.14 82.7 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.333 1.02 . . . . 0.0 111.853 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -74.33 -53.22 10.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.944 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.73 -55.01 12.74 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.413 -1.722 . . . . 0.0 111.275 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -64.66 -30.28 71.29 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.119 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.1 94.33 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.824 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.2 ptm -74.2 -21.65 59.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.976 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.28 -2.72 2.35 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 124.485 1.115 . . . . 0.0 114.975 162.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -54.8 134.55 47.9 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.965 0.888 . . . . 0.0 111.222 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.92 -56.54 11.22 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 112.458 -2.155 . . . . 0.0 110.697 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -134.99 146.6 49.22 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.093 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.07 113.78 39.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.07 -2.332 . . . . 0.0 107.455 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -92.56 122.21 64.74 Favored Pre-proline 0 C--N 1.347 0.475 0 CA-C-N 112.67 -2.059 . . . . 0.0 112.458 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -52.8 165.35 1.19 Allowed 'Trans proline' 0 C--N 1.371 1.744 0 N-CA-C 114.936 1.091 . . . . 0.0 114.936 167.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.96 0.27 3.31 Favored 'Trans proline' 0 C--N 1.369 1.61 0 N-CA-C 119.152 2.712 . . . . 0.0 119.152 -167.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.43 75.55 0.17 Allowed Glycine 0 C--N 1.348 1.209 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.08 137.33 40.5 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.023 -2.088 . . . . 0.0 110.079 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -50.76 169.41 0.21 Allowed Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.686 -2.507 . . . . 0.0 111.387 168.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.76 -19.87 5.81 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 120.906 1.071 . . . . 0.0 113.461 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -74.35 -29.97 61.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.273 -168.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -31.77 64.44 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.847 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -39.63 32.66 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 126.418 2.324 . . . . 0.0 108.943 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 85.8 mt -75.04 -32.8 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 109.601 -3.454 . . . . 0.0 108.588 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.24 65.32 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.526 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.433 27.9 p30 -75.64 -31.46 59.83 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 114.058 -3.057 . . . . 0.0 114.509 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 8.1 ptp -71.75 -40.15 69.54 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 118.066 -1.453 . . . . 0.0 112.545 171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -63.56 -57.07 11.3 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.15 -33.87 71.41 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.038 -1.437 . . . . 0.0 114.214 -176.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.86 -45.38 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.972 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 70.2 mt -83.55 8.42 14.19 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.006 -173.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.07 53.7 6.08 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 122.214 0.897 . . . . 0.0 111.256 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -149.17 177.11 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 112.09 -2.055 . . . . 0.0 106.537 -174.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.962 172.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -89.48 109.45 20.38 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 116.765 -1.974 . . . . 0.0 107.056 165.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 53' ' ' THR . 26.5 m -87.78 141.98 28.17 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 112.725 -2.034 . . . . 0.0 106.15 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 34' ' ' VAL . 1.2 mt -107.27 122.4 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 159.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 58' ' ' ILE 0.294 2.2 t -100.26 116.98 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.158 0 CA-C-N 109.379 -3.555 . . . . 0.0 101.766 175.077 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.06 128.93 39.29 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 116.34 -2.144 . . . . 0.0 107.133 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.78 145.66 16.06 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 110.932 -2.849 . . . . 0.0 108.595 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 63' ' ' LEU . 42.6 t -97.47 120.17 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tt -96.81 130.4 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 111.968 -2.378 . . . . 0.0 107.323 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.341 0.809 0 CA-C-N 111.989 -2.369 . . . . 0.0 108.261 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.545 0.688 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -60.37 -38.36 83.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.062 -1.881 . . . . 0.0 114.076 -168.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CB ' HG21 ' A' ' 34' ' ' VAL . 24.5 m-85 -73.45 -35.4 65.73 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.171 -1.377 . . . . 0.0 110.91 -173.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -35.63 80.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.161 -1.836 . . . . 0.0 110.068 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.51 -20.63 62.82 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.228 -2.26 . . . . 0.0 112.256 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.24 4.36 50.84 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.153 0.908 . . . . 0.0 110.358 -170.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.95 76.16 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.35 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -94.62 147.88 22.83 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -179.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -77.9 111.71 14.02 Favored 'General case' 0 C--N 1.361 1.07 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG21 ' CB ' ' A' ' 27' ' ' PHE . 86.4 t -127.32 108.88 19.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 118.054 -1.458 . . . . 0.0 109.171 -173.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.01 110.97 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 110.787 -2.915 . . . . 0.0 107.493 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -85.96 104.42 15.57 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.99 -1.914 . . . . 0.0 107.076 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.82 -19.55 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 112.831 -1.986 . . . . 0.0 111.117 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.08 -172.19 23.18 Favored Glycine 0 C--N 1.355 1.61 0 CA-C-N 113.682 -1.599 . . . . 0.0 110.344 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 m -80.93 118.01 27.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 CA-C-N 112.605 -1.797 . . . . 0.0 108.095 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 134.56 2.29 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.051 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 1.5 m -104.47 52.98 0.74 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.503 -1.68 . . . . 0.0 111.486 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 m -162.49 118.88 1.95 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -28.86 67.14 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.128 -1.851 . . . . 0.0 111.876 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.95 -33.15 62.07 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.732 1.27 . . . . 0.0 112.102 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.23 -27.08 30.19 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 113.991 -1.458 . . . . 0.0 112.311 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -47.1 25.5 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.003 0.906 . . . . 0.0 110.005 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.8 mt -49.91 -32.53 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 129.805 3.242 . . . . 0.0 112.05 158.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -36.52 79.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 116.854 -1.938 . . . . 0.0 109.622 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.89 -55.13 14.01 Favored 'General case' 0 C--N 1.361 1.094 0 CA-C-O 115.179 -2.343 . . . . 0.0 111.412 158.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.56 70.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 113.026 -3.47 . . . . 0.0 116.717 -162.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.68 -53.16 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.722 167.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.58 -50.74 56.95 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 5' ' ' THR . 14.1 t -84.53 -44.14 13.86 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.704 -168.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.546 ' N ' HG23 ' A' ' 53' ' ' THR . 35.4 mttt 95.32 73.95 0.0 OUTLIER 'General case' 0 C--N 1.35 0.609 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.484 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -56.63 133.9 54.1 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 110.824 -2.898 . . . . 0.0 109.05 169.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -26.94 19.5 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.312 153.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD21 HG12 ' A' ' 6' ' ' ILE . 2.7 pt? -140.45 144.72 36.26 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.982 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.6 mt -120.33 129.54 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 111.185 -2.734 . . . . 0.0 108.307 176.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.19 138.27 51.11 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.969 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 121.78 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 111.595 -2.548 . . . . 0.0 107.132 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -115.09 112.81 23.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.188 1.555 . . . . 0.0 109.356 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 p -100.89 164.06 12.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.152 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 10' ' ' VAL . 88.7 mt . . . . . 0 C--N 1.352 0.713 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.633 -160.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.724 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.85 -32.19 69.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.601 -1.8 . . . . 0.0 112.319 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.96 -44.35 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.479 -172.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -48.55 17.08 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 73.7 m -56.56 -25.56 52.59 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.317 -2.22 . . . . 0.0 113.431 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -49.65 112.07 0.6 Allowed 'General case' 0 CA--C 1.548 0.9 0 O-C-N 124.763 1.29 . . . . 0.0 112.164 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.55 44.03 17.46 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.398 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 58' ' ' ILE . 1.8 tt -75.58 -29.47 59.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.615 0.832 . . . . 0.0 110.11 154.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 -61.82 -43.46 98.8 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 116.397 -2.121 . . . . 0.0 110.191 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.329 31.3 mt-10 -77.45 -26.29 51.32 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 117.716 2.487 . . . . 0.0 117.716 179.214 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.254 96.6 mttt -76.47 -29.59 56.95 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 125.193 1.558 . . . . 0.0 113.656 166.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.7 t -77.2 -35.26 55.84 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.388 1.566 . . . . 0.0 111.264 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -76.82 -34.0 57.93 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 110.293 -3.14 . . . . 0.0 109.358 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.329 0.0 OUTLIER -73.21 -29.86 63.1 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 116.492 -2.083 . . . . 0.0 112.891 176.74 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 0.26 13.54 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.328 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 34.64 47.12 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -134.67 37.67 3.08 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.983 -2.109 . . . . 0.0 109.501 -173.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 116.5 18.75 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.842 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.77 -34.55 0.87 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-N 111.703 -2.498 . . . . 0.0 107.41 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.1 mp -64.89 124.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 111.624 -2.288 . . . . 0.0 110.633 169.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.21 148.33 23.01 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 109.8 -3.364 . . . . 0.0 108.048 171.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 58' ' ' ILE . 49.0 mt -127.8 132.62 49.46 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.562 1.649 . . . . 0.0 112.043 -164.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -107.91 141.47 39.48 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 110.466 -3.061 . . . . 0.0 107.843 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.7 34.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 CA-C-N 112.854 -1.975 . . . . 0.0 107.432 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.49 152.17 22.33 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 113.205 -1.816 . . . . 0.0 111.665 -167.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.96 -130.63 10.31 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.611 -2.294 . . . . 0.0 109.765 171.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.0 76.17 9.86 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.762 1.267 . . . . 0.0 109.687 -172.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.8 pt -80.77 -49.02 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 111.462 -2.608 . . . . 0.0 111.287 -169.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.543 0.687 0 CA-C-N 113.435 -1.711 . . . . 0.0 111.745 -175.872 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.391 1.7 m-90 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.8 -38.62 85.45 Favored 'Trans proline' 0 C--N 1.362 1.239 0 N-CA-C 115.567 1.334 . . . . 0.0 115.567 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.14 -46.71 15.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 113.252 -1.794 . . . . 0.0 111.332 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.16 -59.01 4.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.38 -174.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.39 -27.78 68.12 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 112.59 -2.095 . . . . 0.0 112.994 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -55.7 -35.53 66.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 117.656 -1.618 . . . . 0.0 112.112 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -52.99 11.45 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.265 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -68.42 -32.13 71.95 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.313 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -81.08 -28.42 35.28 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 125.175 1.547 . . . . 0.0 111.407 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.62 -29.63 66.65 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 124.299 1.0 . . . . 0.0 111.566 168.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 20.9 mmt -79.28 -43.68 23.19 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.65 10.57 9.23 Favored Glycine 0 CA--C 1.54 1.599 0 CA-C-N 113.425 -1.716 . . . . 0.0 114.11 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -52.17 115.98 1.98 Allowed 'General case' 0 C--N 1.36 1.028 0 CA-C-O 121.214 0.531 . . . . 0.0 111.089 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -36.82 -59.55 0.68 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 125.877 1.986 . . . . 0.0 112.951 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -145.11 156.15 43.73 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 124.826 1.329 . . . . 0.0 109.968 168.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -111.89 113.99 45.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.83 -2.441 . . . . 0.0 108.962 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HB3' HG21 ' A' ' 121' ' ' THR . 21.2 m-85 -88.93 143.79 31.95 Favored Pre-proline 0 C--N 1.359 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 111.747 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.02 179.82 0.53 Allowed 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.508 2.139 . . . . 0.0 114.822 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.74 117.66 4.58 Favored 'Trans proline' 0 C--N 1.363 1.308 0 C-N-CA 121.466 1.444 . . . . 0.0 110.643 165.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.33 66.94 1.6 Allowed Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.526 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.02 137.52 40.19 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.358 -1.921 . . . . 0.0 110.29 -177.272 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.56 157.16 0.75 Allowed Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.87 162.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.41 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.17 1.247 . . . . 0.0 112.909 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.25 -29.73 64.19 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.531 1.144 . . . . 0.0 111.467 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -72.56 -34.43 67.49 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 124.925 1.391 . . . . 0.0 112.02 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.71 -37.8 34.86 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 126.472 2.357 . . . . 0.0 108.965 -171.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 82.9 mt -75.22 -37.12 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.94 63.91 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.881 1.363 . . . . 0.0 111.033 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' THR . 58.9 t0 -59.75 -55.53 33.19 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.18 -2.208 . . . . 0.0 112.229 172.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.408 ' SD ' HD11 ' A' ' 6' ' ' ILE . 16.9 ptt? -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.906 0.754 . . . . 0.0 112.315 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.75 -57.07 14.52 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.525 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.5 -57.06 14.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.682 -1.599 . . . . 0.0 113.267 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.22 -47.07 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 112.523 -2.126 . . . . 0.0 113.278 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.31 8.97 19.29 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.193 0.933 . . . . 0.0 111.841 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.73 71.85 1.0 Allowed Glycine 0 C--N 1.355 1.627 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.548 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -146.4 162.44 9.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 112.897 -1.652 . . . . 0.0 107.052 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.869 177.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 115.42 28.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.011 -1.904 . . . . 0.0 107.724 172.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 53' ' ' THR . 19.7 m -82.92 128.14 34.17 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 110.927 -2.851 . . . . 0.0 107.477 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 HG12 HG13 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -122.99 149.15 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.17 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 170.311 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 5.3 t -130.17 116.82 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.404 0 CA-C-N 108.954 -3.748 . . . . 0.0 103.245 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.7 129.01 50.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 103.284 -2.858 . . . . 0.0 103.284 167.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.32 142.95 14.79 Favored Glycine 0 C--N 1.344 0.975 0 N-CA-C 103.835 -3.706 . . . . 0.0 103.835 167.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t -98.03 120.63 47.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 117.878 -1.529 . . . . 0.0 107.003 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -100.62 117.74 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.295 -177.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 CA-C-N 110.772 -2.922 . . . . 0.0 112.42 173.11 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -75.94 -26.87 57.29 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.886 1.366 . . . . 0.0 113.377 -159.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -67.0 -39.45 87.11 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.855 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -35.59 81.37 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 112.429 -2.168 . . . . 0.0 110.673 177.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -71.87 -20.69 61.76 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.451 -2.159 . . . . 0.0 112.346 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.2 14.0 13.7 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.179 0.924 . . . . 0.0 110.617 -164.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.43 20.25 76.8 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.712 -175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 151.74 19.65 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -79.41 104.64 10.16 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 6' ' ' ILE . 21.0 t -127.27 123.29 61.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 125.079 1.487 . . . . 0.0 110.356 -172.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 53' ' ' THR . 6.4 t -101.64 115.41 43.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 CA-C-N 111.449 -2.614 . . . . 0.0 107.883 173.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.97 97.96 10.55 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 112.244 -2.253 . . . . 0.0 108.238 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -68.82 -29.29 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 111.018 -2.81 . . . . 0.0 110.406 175.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.65 177.62 41.94 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.783 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.96 139.05 18.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 113.415 -1.393 . . . . 0.0 111.021 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -160.14 -49.33 0.05 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.53 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t 69.56 87.45 0.12 Allowed 'General case' 0 C--N 1.344 0.364 0 CA-C-N 111.444 -2.617 . . . . 0.0 111.397 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p 179.13 128.83 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 125.376 1.672 . . . . 0.0 110.229 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -47.81 -33.82 7.81 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.236 -2.256 . . . . 0.0 112.028 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.44 -39.45 73.14 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.623 1.202 . . . . 0.0 113.264 -170.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.97 -30.58 19.92 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 124.375 1.047 . . . . 0.0 110.807 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -35.69 58.98 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.728 1.252 . . . . 0.0 112.932 -172.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mt -50.01 -50.19 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 110.931 -2.849 . . . . 0.0 110.91 155.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.88 -28.7 70.02 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 125.127 1.517 . . . . 0.0 113.439 -171.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' A' ' 37' ' ' ILE . . . -73.97 -28.75 61.63 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.595 0.559 . . . . 0.0 111.257 171.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.36 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 116.797 -1.961 . . . . 0.0 113.228 165.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.79 -40.0 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.897 174.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -77.08 -50.31 13.35 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 113.553 -1.658 . . . . 0.0 111.353 -168.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 35' ' ' VAL . 12.6 p -100.32 -26.09 14.01 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 125.756 1.91 . . . . 0.0 114.907 -173.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 86.15 74.59 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.222 0 O-C-N 125.583 1.802 . . . . 0.0 109.992 172.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 142.21 55.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 109.758 -3.383 . . . . 0.0 111.866 -176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -90.25 -27.58 19.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 112.598 -2.092 . . . . 0.0 109.533 156.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.29 2.6 pt? -140.47 145.01 36.37 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 122.913 1.339 . . . . 0.0 113.143 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD22 ' A' ' 88' ' ' LEU . 17.3 mt -128.93 127.03 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 111.531 -2.577 . . . . 0.0 107.409 175.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -109.49 137.72 46.92 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 112.227 -2.261 . . . . 0.0 108.149 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.65 121.79 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 111.267 -2.697 . . . . 0.0 105.076 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -110.93 114.47 27.83 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.809 -1.996 . . . . 0.0 108.969 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -100.49 109.96 22.11 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 113.372 -1.74 . . . . 0.0 108.615 -158.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.348 0.525 0 CA-C-N 110.462 -3.063 . . . . 0.0 108.057 169.816 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.11 -37.76 33.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.216 -1.492 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.9 -44.51 51.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 112.818 -1.992 . . . . 0.0 110.599 -166.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 11' ' ' ILE . 14.1 t70 -77.43 -56.06 4.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.831 1.332 . . . . 0.0 111.554 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -63.79 -25.76 68.32 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.577 -163.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -59.54 111.82 1.55 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.224 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.77 25.36 69.86 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 113.734 -1.575 . . . . 0.0 113.267 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.47 -25.72 57.62 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.892 0.995 . . . . 0.0 110.814 155.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -42.23 99.34 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 118.234 -1.387 . . . . 0.0 109.524 168.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.346 12.1 tm-20 -77.61 -26.36 50.59 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 177.626 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -76.28 -29.21 57.32 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 126.145 2.153 . . . . 0.0 112.415 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.12 -34.43 56.67 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.826 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -67.87 -39.27 83.77 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 111.213 -2.721 . . . . 0.0 110.337 170.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.0 OUTLIER -72.52 -29.91 64.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 111.032 -2.804 . . . . 0.0 111.591 -177.565 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 0.98 11.48 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.624 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.03 35.28 44.72 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.3 mt -137.2 48.24 2.07 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 111.752 -2.224 . . . . 0.0 107.92 -175.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 114.41 23.82 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.71 171.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.92 -26.11 1.29 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-N 112.12 -2.309 . . . . 0.0 108.161 -168.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.487 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -67.99 124.88 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 111.919 -2.141 . . . . 0.0 109.795 165.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -87.89 139.4 30.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 111.161 -2.745 . . . . 0.0 107.686 160.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 58' ' ' ILE . 13.8 mt -109.86 141.01 43.15 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 122.986 1.374 . . . . 0.0 111.153 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -107.57 142.49 37.41 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 110.127 -3.215 . . . . 0.0 106.572 166.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 123.73 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 112.947 -1.933 . . . . 0.0 106.415 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 151.83 22.42 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.463 -170.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -149.57 18.16 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 112.594 -1.803 . . . . 0.0 109.608 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -88.54 84.19 6.77 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 168.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.92 -30.59 6.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 112.059 -2.337 . . . . 0.0 111.571 -162.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 159.127 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.26 8.6 m-90 . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.02 -40.31 67.99 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 115.049 1.134 . . . . 0.0 115.049 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.07 -42.46 23.64 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.506 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.57 -59.21 3.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.087 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.85 -27.86 69.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.54 -1.209 . . . . 0.0 113.099 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -56.72 -39.49 74.01 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 117.665 -1.614 . . . . 0.0 112.339 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -53.32 8.8 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.387 1.054 . . . . 0.0 111.521 -175.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -75.13 -35.57 61.68 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.913 -1.494 . . . . 0.0 112.309 -169.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -75.82 -28.71 58.4 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.968 1.417 . . . . 0.0 111.477 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.29 -29.72 69.01 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 124.138 0.899 . . . . 0.0 111.671 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.4 mmt -69.24 -66.59 0.56 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.657 1.223 . . . . 0.0 109.063 164.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 144.55 44.91 0.04 OUTLIER Glycine 0 C--N 1.351 1.379 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.225 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -81.12 146.15 30.71 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.774 -1.713 . . . . 0.0 108.259 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.27 -45.65 17.55 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.1 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -145.03 146.81 32.04 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.527 1.142 . . . . 0.0 112.0 -163.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.9 t -123.3 113.97 39.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.688 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -87.95 147.2 40.34 Favored Pre-proline 0 C--N 1.36 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.723 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.59 179.19 0.19 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.693 2.262 . . . . 0.0 114.18 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.43 117.68 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 121.369 1.38 . . . . 0.0 109.304 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.81 70.17 1.33 Allowed Glycine 0 C--N 1.35 1.338 0 CA-C-N 113.356 -1.747 . . . . 0.0 110.746 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.48 40.31 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.023 -2.088 . . . . 0.0 109.502 -175.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -55.49 155.05 10.81 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 112.722 -2.036 . . . . 0.0 109.778 161.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.13 -11.13 9.95 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 120.566 0.844 . . . . 0.0 113.393 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.93 -29.79 70.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -71.82 -35.97 70.08 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.312 177.817 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.44 -36.1 39.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 126.024 2.078 . . . . 0.0 108.865 -170.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.8 mt -75.13 -39.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 111.382 -2.644 . . . . 0.0 110.455 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.41 63.97 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.169 1.543 . . . . 0.0 110.956 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.7 t0 -65.14 -52.29 56.04 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.412 173.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 12.1 ptp -66.88 -28.85 68.66 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.5 -57.0 12.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 114.451 -1.249 . . . . 0.0 109.373 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.15 -49.99 74.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 112.919 -1.946 . . . . 0.0 114.092 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.51 -47.07 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.279 -1.782 . . . . 0.0 112.145 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 63.6 mt -82.45 -4.63 57.78 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.93 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 73.9 0.93 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.66 165.3 14.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.299 -1.951 . . . . 0.0 107.025 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 113.342 -1.754 . . . . 0.0 108.315 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -100.68 109.75 21.81 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 112.635 -2.075 . . . . 0.0 106.396 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 53' ' ' THR . 24.1 m -89.48 137.21 32.52 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 125.497 1.748 . . . . 0.0 107.111 166.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.93 122.81 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 110.232 -3.167 . . . . 0.0 102.665 162.373 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.6 t -99.8 137.29 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.262 -3.608 . . . . 0.0 102.097 176.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 4.1 pp -132.23 129.29 39.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 116.572 -2.051 . . . . 0.0 107.851 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.59 145.14 15.93 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.503 163.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.72 120.67 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.582 HG21 ' SG ' ' A' ' 71' ' ' CYS . 3.4 tt -96.77 117.76 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 112.527 -2.124 . . . . 0.0 106.342 -169.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.145 0 CA-C-N 111.825 -2.443 . . . . 0.0 112.428 -171.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 m170 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -72.67 -33.21 66.38 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.155 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.6 m-30 -76.16 -38.21 56.96 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.671 1.232 . . . . 0.0 110.369 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -34.25 77.91 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.019 -1.901 . . . . 0.0 110.041 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -73.97 -20.57 60.31 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.541 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.43 -0.45 37.22 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.696 0.622 . . . . 0.0 111.079 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.67 20.47 73.98 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.618 -171.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.94 155.54 19.45 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.691 -1.604 . . . . 0.0 106.847 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -77.77 109.25 11.62 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 165.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.0 112.16 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 113.518 -1.674 . . . . 0.0 108.956 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.83 110.57 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 110.747 -2.933 . . . . 0.0 104.903 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -92.79 97.77 10.97 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -80.99 -36.33 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.216 -165.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.99 -176.79 22.21 Favored Glycine 0 C--N 1.355 1.619 0 CA-C-N 114.063 -1.426 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.24 117.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 113.147 -1.526 . . . . 0.0 109.931 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.19 100.48 0.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.111 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.8 t -53.79 108.48 0.36 Allowed 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.768 1.292 . . . . 0.0 113.029 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.96 108.23 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 O-C-N 125.475 1.734 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -47.97 -51.61 23.01 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.802 -1.999 . . . . 0.0 111.625 160.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.26 -29.47 61.14 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.97 1.419 . . . . 0.0 112.784 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.18 -42.6 62.55 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -76.36 -37.36 57.37 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.05 1.405 . . . . 0.0 112.846 -174.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.7 -34.85 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 110.418 -3.083 . . . . 0.0 112.0 161.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.52 -35.17 73.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.909 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.859 ' O ' HG22 ' A' ' 53' ' ' THR . . . -64.07 -28.94 70.13 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 116.084 -1.912 . . . . 0.0 111.534 166.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.747 1.158 . . . . 0.0 113.831 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.2 -37.06 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.014 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -76.56 -50.93 12.67 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.36 -1.745 . . . . 0.0 112.373 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 5' ' ' THR . 1.2 t -83.78 -38.19 21.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.037 -170.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 53' ' ' THR . 50.3 mttp 83.25 84.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.765 0 CA-C-N 111.174 -2.739 . . . . 0.0 109.446 -164.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -79.92 134.54 36.29 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -90.35 -23.92 20.98 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.917 1.385 . . . . 0.0 110.312 159.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.316 2.7 pt? -140.46 144.97 36.35 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 123.116 1.436 . . . . 0.0 112.832 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 22.9 mt -128.04 118.68 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 110.592 -3.004 . . . . 0.0 107.111 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 8' ' ' LEU . 25.3 p -115.51 114.9 25.62 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.679 1.237 . . . . 0.0 111.434 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.08 121.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.396 -2.184 . . . . 0.0 106.638 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.4 t -115.27 112.79 22.97 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.968 1.417 . . . . 0.0 109.444 -176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 152.5 20.4 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.148 -1.842 . . . . 0.0 108.22 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.543 0.693 0 O-C-N 125.623 1.827 . . . . 0.0 110.587 -179.609 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 CA-C-O 122.413 1.007 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.85 -31.04 61.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.171 -2.015 . . . . 0.0 110.089 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mm -91.05 -44.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.861 -167.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -77.64 -56.11 4.79 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.318 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.582 ' SG ' HG21 ' A' ' 11' ' ' ILE . 13.1 m -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.239 1.587 . . . . 0.0 113.073 -158.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -69.4 131.12 44.29 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.282 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.537 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 93.68 18.75 36.89 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 112.707 -2.042 . . . . 0.0 112.338 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -75.54 -25.82 57.49 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.724 0.896 . . . . 0.0 111.196 157.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -58.57 -51.81 68.32 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.288 0.992 . . . . 0.0 109.402 172.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.44 27.5 tt0 -77.56 -26.26 50.72 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 177.178 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.342 29.4 ttmt -76.14 -29.21 57.72 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 125.175 1.547 . . . . 0.0 113.097 168.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.02 -35.85 56.66 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 122.98 1.371 . . . . 0.0 109.845 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.44 -43.83 98.17 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 110.78 -2.918 . . . . 0.0 110.31 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.306 0.0 OUTLIER -73.06 -30.02 63.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 110.256 -3.156 . . . . 0.0 112.391 -176.409 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 1.01 11.56 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.701 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.97 35.43 44.59 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 86' ' ' ILE . 78.9 mt -141.0 54.35 1.57 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 111.597 -2.302 . . . . 0.0 107.761 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 115.22 27.16 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.521 -2.127 . . . . 0.0 108.726 172.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.92 -22.47 2.13 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 111.916 -2.402 . . . . 0.0 108.114 -167.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -68.16 124.94 24.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 111.956 -2.122 . . . . 0.0 109.359 167.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -88.92 148.86 23.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 111.197 -2.729 . . . . 0.0 108.049 159.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.545 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 57.1 mt -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.733 -170.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -107.73 153.24 23.24 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.182 -2.281 . . . . 0.0 106.887 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.25 123.84 34.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.26 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.72 152.1 18.14 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.248 -168.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 -146.27 18.13 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 113.35 -1.425 . . . . 0.0 112.14 167.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -85.45 75.92 10.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 112.658 -1.771 . . . . 0.0 107.822 169.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -24.92 28.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.359 -2.201 . . . . 0.0 111.39 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.352 0.71 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 171.049 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.301 3.0 m-90 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.62 -39.71 87.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 120.562 1.237 . . . . 0.0 114.301 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.01 -38.89 31.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.197 -2.274 . . . . 0.0 111.773 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.08 -44.93 27.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.697 1.248 . . . . 0.0 111.75 -169.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -70.87 -27.97 64.22 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.139 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -61.64 -42.36 98.78 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.632 169.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.96 -51.51 18.12 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.992 -1.458 . . . . 0.0 111.849 -169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -75.0 -32.45 61.65 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.289 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -78.13 -28.9 48.56 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.622 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.02 67.41 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.681 1.238 . . . . 0.0 110.719 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.537 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -74.55 -43.14 57.15 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.277 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.5 -41.59 0.24 Allowed Glycine 0 C--N 1.355 1.592 0 C-N-CA 119.187 -1.482 . . . . 0.0 112.835 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -49.52 146.44 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 122.387 1.089 . . . . 0.0 113.056 -171.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -79.32 -50.53 10.74 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 112.793 -2.003 . . . . 0.0 109.946 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -145.28 151.11 37.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.355 -164.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.0 t -123.34 122.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.721 1.888 . . . . 0.0 110.324 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE2' HG23 ' A' ' 126' ' ' THR . 30.3 m-85 -98.66 147.1 32.71 Favored Pre-proline 0 C--N 1.361 1.104 0 O-C-N 124.241 0.963 . . . . 0.0 111.242 165.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -66.04 -176.84 0.67 Allowed 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.302 2.002 . . . . 0.0 113.781 171.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.25 125.33 1.83 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.935 2.423 . . . . 0.0 110.635 164.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.91 48.71 6.41 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 137.66 32.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.881 -2.159 . . . . 0.0 108.804 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.32 147.0 8.08 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.608 158.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.04 -13.81 8.89 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 O-C-N 122.878 0.936 . . . . 0.0 113.346 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.67 -29.67 69.74 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.22 -40.22 90.14 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.872 -1.513 . . . . 0.0 112.489 176.437 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 4.9 m -79.43 -34.97 41.19 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 126.077 2.111 . . . . 0.0 109.341 -170.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -41.78 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.919 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.45 -31.73 63.97 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.09 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 64.4 t0 -64.82 -47.48 77.84 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 116.78 -1.968 . . . . 0.0 112.453 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 13.6 ptp -68.42 -28.89 67.48 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.43 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.67 -53.36 55.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.134 0.968 . . . . 0.0 109.722 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.07 -51.71 68.89 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.3 -2.227 . . . . 0.0 113.938 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.95 -39.37 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.257 -174.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.9 mt -86.46 -5.49 59.15 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.442 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.22 72.34 0.99 Allowed Glycine 0 C--N 1.355 1.615 0 O-C-N 124.491 1.119 . . . . 0.0 110.755 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.0 t -138.43 154.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 CA-C-N 112.383 -1.908 . . . . 0.0 107.779 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 111.669 -2.514 . . . . 0.0 109.346 -168.289 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.95 109.78 21.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.814 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.9 m -93.28 142.06 27.74 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 111.476 -2.602 . . . . 0.0 106.857 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 57' ' ' LEU . 1.1 mt -124.92 149.34 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.685 0 CA-C-N 109.851 -3.34 . . . . 0.0 103.557 173.102 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -130.04 125.38 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 CA-C-N 109.097 -3.683 . . . . 0.0 103.068 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.5 129.23 52.8 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 162.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.11 15.93 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.477 -2.147 . . . . 0.0 107.809 166.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.8 t -98.03 120.72 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -96.85 140.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 111.738 -2.483 . . . . 0.0 109.569 -169.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.105 0 CA-C-N 110.355 -3.111 . . . . 0.0 108.21 -174.377 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 m80 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.129 0.49 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -63.18 -46.83 85.27 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.977 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.78 -39.35 66.82 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 125.061 1.476 . . . . 0.0 109.373 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -24.77 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 111.795 -2.457 . . . . 0.0 111.779 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -114.03 25.71 10.92 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.583 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.5 6.04 49.57 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.55 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.89 25.64 74.4 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.767 -1.561 . . . . 0.0 111.308 -172.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -99.78 161.09 13.82 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.99 107.19 13.59 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 161.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 32' ' ' PHE . 15.0 t -127.11 139.15 52.71 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 114.219 -1.355 . . . . 0.0 108.027 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.52 110.69 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 111.382 -2.644 . . . . 0.0 106.728 -170.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.93 97.64 10.35 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.55 -1.659 . . . . 0.0 106.847 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.542 HD13 ' C ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.28 -42.15 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 112.769 -2.014 . . . . 0.0 111.413 -175.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.65 129.73 1.15 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 116.117 -2.945 . . . . 0.0 112.412 -171.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.58 142.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.746 -2.227 . . . . 0.0 106.964 165.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.91 56.42 0.22 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 125.338 1.648 . . . . 0.0 107.78 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 m -156.91 -169.76 3.07 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 111.556 -2.566 . . . . 0.0 107.504 -163.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -161.72 170.82 18.95 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 123.102 1.43 . . . . 0.0 111.683 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HB2' HD13 ' A' ' 74' ' ' LEU . 8.8 pt20 -51.25 -28.88 12.86 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 110.972 -2.831 . . . . 0.0 116.852 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.49 -37.16 84.91 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.321 1.013 . . . . 0.0 111.497 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.46 -23.26 30.0 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.104 -1.862 . . . . 0.0 111.448 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.473 ' CD1' HD12 ' A' ' 37' ' ' ILE . 1.3 m-30 -76.45 -32.98 58.75 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-O 123.302 1.525 . . . . 0.0 113.037 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.474 HG13 ' SG ' ' A' ' 78' ' ' CYS . 1.3 mt -49.69 -48.06 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 109.935 -3.302 . . . . 0.0 109.685 160.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.94 -28.82 67.8 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.026 1.454 . . . . 0.0 112.945 -174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.88 61.59 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.891 0.744 . . . . 0.0 110.983 172.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.46 64.57 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 115.198 -2.601 . . . . 0.0 112.375 168.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.65 -40.4 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.025 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -77.04 -50.49 12.98 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.809 -1.541 . . . . 0.0 112.787 -169.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -99.13 -28.74 13.23 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 125.472 1.732 . . . . 0.0 114.022 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 93.47 63.61 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 O-C-N 126.009 2.068 . . . . 0.0 110.98 170.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -88.1 134.19 33.82 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 110.36 -3.109 . . . . 0.0 111.505 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -89.72 -31.8 17.3 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.661 168.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.657 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.1 mp -91.73 136.43 33.15 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.457 169.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.5 mt -132.18 124.2 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 110.001 -3.272 . . . . 0.0 108.242 156.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.0 m -115.14 114.76 25.72 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.408 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.92 121.59 53.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 112.367 -2.197 . . . . 0.0 105.687 177.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.16 112.83 23.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.012 -1.904 . . . . 0.0 108.217 -172.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 m -101.38 133.11 46.48 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.901 -165.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.351 0.653 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.896 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.5 -27.97 69.52 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 112.608 -1.796 . . . . 0.0 112.005 170.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 -44.49 16.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.525 -173.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.45 -56.32 4.64 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.99 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 m -59.33 -25.97 64.64 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.466 -165.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -59.22 111.73 1.46 Allowed 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.656 1.222 . . . . 0.0 111.931 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . . . 80.37 33.11 32.68 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 112.143 -2.299 . . . . 0.0 111.289 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 43' ' ' GLN . 29.7 tp -75.78 -32.38 59.89 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 125.482 1.342 . . . . 0.0 112.914 164.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -47.78 83.41 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.106 174.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' ASP 0.465 15.7 tt0 -77.44 -26.3 51.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 175.48 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.309 62.1 tttp -75.99 -29.07 58.07 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 125.011 1.444 . . . . 0.0 113.064 169.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.551 ' CB ' HG21 ' A' ' 86' ' ' ILE . 87.5 m -77.32 -41.75 39.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 125.095 1.497 . . . . 0.0 110.751 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 12.9 t70 -57.64 -45.91 84.85 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 110.115 -3.22 . . . . 0.0 108.463 171.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.295 35.9 mt-10 -73.05 -29.59 63.08 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 110.343 -3.117 . . . . 0.0 112.548 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.68 4.5 4.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.566 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.13 35.14 15.8 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.299 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -100.24 -116.63 0.16 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.795 -1.702 . . . . 0.0 107.361 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.262 6.8 mptt -108.94 -157.28 0.61 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-O 122.97 1.367 . . . . 0.0 110.67 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.04 53.21 1.06 Allowed Glycine 0 N--CA 1.437 -1.297 1 N-CA-C 102.107 -4.397 . . . . 0.0 102.107 152.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.551 HG21 ' CB ' ' A' ' 78' ' ' CYS 0.308 3.7 tt -63.65 124.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 109.749 -3.225 . . . . 0.0 110.71 -166.68 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.9 mttm -88.01 117.02 26.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 109.857 -3.338 . . . . 0.0 108.385 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.65 HD22 ' HB ' ' A' ' 58' ' ' ILE . 6.2 mt -113.5 143.33 44.7 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 111.796 -2.456 . . . . 0.0 108.205 -173.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -107.9 143.03 37.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 110.602 -2.999 . . . . 0.0 105.602 169.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.12 123.59 34.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.66 152.02 23.53 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 118.277 -1.916 . . . . 0.0 113.219 -164.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.08 90.7 0.23 Allowed Glycine 0 C--N 1.353 1.481 0 CA-C-N 110.972 -2.614 . . . . 0.0 112.38 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 52.52 70.51 0.56 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 125.376 1.28 . . . . 0.0 111.748 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -103.33 -45.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.015 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.359 0.996 0 O-C-N 124.927 1.392 . . . . 0.0 113.325 172.644 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.418 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.509 1.5 m-90 . . . . . 0 C--O 1.221 -0.413 0 N-CA-C 121.109 3.744 . . . . 0.0 121.109 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.55 -31.67 32.26 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 CA-C-N 120.955 1.377 . . . . 0.0 115.514 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -80.06 -45.51 18.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 112.779 -2.01 . . . . 0.0 111.575 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.53 -55.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 124.775 1.297 . . . . 0.0 110.829 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.28 -45.59 72.52 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.666 1.229 . . . . 0.0 112.53 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -55.54 -49.4 72.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 119.054 -1.058 . . . . 0.0 112.391 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -78.06 -53.0 7.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 113.268 -1.787 . . . . 0.0 112.09 -168.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.84 -46.01 86.99 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.238 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -72.23 -33.43 67.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 113.816 -1.538 . . . . 0.0 112.066 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.79 92.89 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.689 1.243 . . . . 0.0 112.273 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.41 ' HE1' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -89.6 -1.62 58.08 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.725 -174.787 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.13 -75.8 0.08 OUTLIER Glycine 0 C--N 1.354 1.533 0 C-N-CA 118.458 -1.83 . . . . 0.0 111.724 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -48.85 146.12 3.43 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 123.023 1.392 . . . . 0.0 113.735 -163.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -59.09 2.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 111.553 -2.567 . . . . 0.0 109.316 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -145.12 154.89 42.94 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.838 -1.528 . . . . 0.0 109.742 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HE1' ' A' ' 101' ' ' TRP . 15.0 t -123.29 136.93 58.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.452 171.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.34 116.77 66.79 Favored Pre-proline 0 C--N 1.358 0.951 0 O-C-N 124.429 1.081 . . . . 0.0 111.688 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.18 127.69 26.7 Favored 'Trans proline' 0 C--N 1.373 1.854 0 O-C-N 123.165 1.087 . . . . 0.0 112.399 164.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.3 112.87 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 121.13 1.22 . . . . 0.0 111.372 -170.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.47 -6.14 3.56 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-N 111.947 -2.388 . . . . 0.0 111.709 -169.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 m -76.03 137.02 39.95 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 121.879 0.847 . . . . 0.0 109.537 -179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 p -69.55 162.56 66.18 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 112.397 -2.183 . . . . 0.0 109.345 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -80.81 -9.94 13.06 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 120.708 0.939 . . . . 0.0 113.985 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -29.85 69.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 124.015 0.822 . . . . 0.0 110.399 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -72.56 -34.65 67.65 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 113.682 -1.599 . . . . 0.0 112.601 175.61 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.4 m -79.7 -33.21 41.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 126.678 2.486 . . . . 0.0 109.023 -172.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.15 -37.69 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 112.138 -2.301 . . . . 0.0 109.785 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.85 64.37 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.947 -1.478 . . . . 0.0 110.925 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.8 t0 -61.6 -55.27 32.54 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.505 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 6' ' ' ILE . 20.2 ptp -63.7 -39.77 95.14 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.311 1.007 . . . . 0.0 111.493 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.88 -55.34 23.46 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.471 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.04 -34.26 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.27 -1.332 . . . . 0.0 114.137 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.63 -39.17 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.421 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.5 mt -91.5 7.88 39.13 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 124.07 0.856 . . . . 0.0 111.866 -169.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 82.43 52.41 3.98 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.285 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.57 165.11 10.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 112.203 -1.998 . . . . 0.0 106.259 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 CA--C 1.548 0.902 0 O-C-N 124.596 1.185 . . . . 0.0 111.271 174.22 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.07 116.66 32.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.044 -1.889 . . . . 0.0 107.952 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -90.94 134.93 34.08 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 112.592 -2.095 . . . . 0.0 106.853 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 149.47 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 C-N-CA 130.318 3.447 . . . . 0.0 103.828 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 37' ' ' ILE 0.272 1.6 t -124.67 143.07 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 CA-C-N 108.723 -3.853 . . . . 0.0 104.144 -175.83 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.1 pp -132.23 128.78 38.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 115.136 -2.625 . . . . 0.0 110.187 156.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.94 143.3 14.8 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 111.493 -2.594 . . . . 0.0 108.228 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 39' ' ' VAL . 21.9 t -97.68 121.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 117.257 -1.777 . . . . 0.0 106.568 -177.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -105.54 127.52 60.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.766 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.099 0 CA-C-N 112.632 -2.076 . . . . 0.0 109.199 179.722 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -157.37 18.37 0.28 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.832 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.19 -44.51 1.59 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.751 -1.568 . . . . 0.0 106.965 154.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -32.54 74.07 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.017 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -76.65 11.0 1.83 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.419 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 -0.46 50.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.152 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.32 30.01 67.64 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.059 -168.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -93.45 153.37 18.52 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 118.721 -1.192 . . . . 0.0 107.836 -177.421 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.77 104.71 9.57 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 165.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 32' ' ' PHE . 61.8 t -120.09 129.22 75.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.49 -174.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.85 110.99 29.02 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.586 -165.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -86.01 117.37 24.81 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.831 -1.986 . . . . 0.0 108.648 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.572 HD11 HG13 ' A' ' 7' ' ' VAL . 7.8 mm -81.82 -37.54 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 111.25 -2.704 . . . . 0.0 110.092 -172.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.82 -171.54 15.1 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.072 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' HA ' ' HB ' ' A' ' 10' ' ' VAL . 13.9 p -109.11 132.07 58.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 112.696 -1.752 . . . . 0.0 109.009 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -163.97 -132.12 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.386 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -179.5 76.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 160.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -167.66 104.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.834 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.4 -28.95 70.14 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 112.021 -2.354 . . . . 0.0 114.636 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.47 -16.94 64.15 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 125.081 1.488 . . . . 0.0 111.962 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -83.66 -37.5 22.72 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . 0.255 0.0 OUTLIER -76.07 -27.65 57.32 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 118.472 -1.291 . . . . 0.0 113.306 -178.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -55.31 -41.12 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-N 111.045 -2.798 . . . . 0.0 112.391 158.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -69.4 -28.96 66.62 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.083 0.864 . . . . 0.0 110.869 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.65 -28.83 62.97 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.008 167.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -69.38 -30.37 68.35 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 115.833 -2.347 . . . . 0.0 113.792 168.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.18 -42.57 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.931 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -77.05 -50.39 13.2 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.885 -168.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.8 p -93.74 -27.05 16.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.092 -171.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.6 mttt 100.01 44.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 126.544 2.402 . . . . 0.0 110.056 167.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -65.0 122.93 18.17 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.525 -2.58 . . . . 0.0 110.562 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.75 -22.66 34.3 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 126.333 2.271 . . . . 0.0 109.033 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 2.4 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 123.367 1.556 . . . . 0.0 112.925 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 78' ' ' CYS . 33.4 mt -123.64 112.39 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 110.283 -3.144 . . . . 0.0 108.127 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 53.0 t -115.1 114.51 25.43 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 125.227 1.579 . . . . 0.0 109.814 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.18 148.17 7.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.2 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.87 112.72 25.81 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.737 -2.029 . . . . 0.0 106.754 164.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.6 p -100.98 122.11 42.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.634 -2.075 . . . . 0.0 107.47 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.95 179.549 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -80.22 -31.79 38.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.904 -1.648 . . . . 0.0 111.402 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.172 -166.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -77.08 -53.19 8.09 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.675 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 97.4 m -55.27 -25.85 36.42 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.962 1.414 . . . . 0.0 114.68 -168.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.56 111.68 1.69 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 123.917 0.761 . . . . 0.0 109.544 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.55 27.41 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 113.221 -1.808 . . . . 0.0 112.0 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -33.67 60.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.625 0.838 . . . . 0.0 110.894 158.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -60.48 -39.67 88.49 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 124.694 1.246 . . . . 0.0 109.918 167.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.277 22.6 mt-10 -77.63 -26.57 50.62 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 14.1 mptt -76.37 -29.4 57.15 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 125.651 1.844 . . . . 0.0 112.729 166.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 58' ' ' ILE . 94.8 m -77.05 -37.05 55.47 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 125.418 1.699 . . . . 0.0 110.923 173.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.77 -42.5 86.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 110.393 -3.094 . . . . 0.0 109.338 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.313 24.4 mm-40 -73.26 -29.79 63.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 109.787 -3.369 . . . . 0.0 113.046 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.5 23.78 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.385 -1.734 . . . . 0.0 112.878 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 39.13 34.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -141.37 33.23 1.68 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 111.623 -2.288 . . . . 0.0 109.987 -170.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -75.6 115.09 14.91 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.145 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.14 -29.74 0.98 Allowed Glycine 0 C--N 1.345 1.08 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.802 -172.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.9 124.94 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 111.746 -2.227 . . . . 0.0 110.814 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.85 138.53 31.37 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 109.23 -3.623 . . . . 0.0 107.598 171.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD22 ' HB ' ' A' ' 58' ' ' ILE . 22.0 mt -123.09 133.38 54.3 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.55 -166.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 13.1 m-30 -107.69 137.44 45.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 109.786 -3.37 . . . . 0.0 107.659 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.19 123.96 34.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.867 -1.969 . . . . 0.0 107.505 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.2 150.79 20.09 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 119.415 -1.374 . . . . 0.0 113.703 -164.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.66 -130.51 9.84 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-N 110.661 -2.77 . . . . 0.0 110.913 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -87.48 79.82 8.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.249 -1.476 . . . . 0.0 109.846 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.9 pt -79.48 -35.26 16.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.138 -2.301 . . . . 0.0 110.939 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--N 1.35 0.605 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -178.749 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.581 1.4 m-90 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 119.787 3.254 . . . . 0.0 119.787 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.55 -37.68 34.36 Favored 'Trans proline' 0 CA--C 1.554 1.491 0 CA-C-N 120.973 1.383 . . . . 0.0 114.85 168.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.26 -45.33 18.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.833 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.8 t -75.14 -36.01 36.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 124.563 1.164 . . . . 0.0 111.283 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.12 -34.26 63.84 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.169 173.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.37 -37.87 79.02 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.504 -1.279 . . . . 0.0 111.324 171.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -73.27 -53.03 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.984 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.09 -43.83 50.76 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.458 -169.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -71.25 -28.69 64.35 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.199 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.91 71.95 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.423 1.077 . . . . 0.0 112.515 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.7 mmt -66.72 -41.08 88.52 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.939 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.88 -14.98 0.34 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.141 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -50.98 129.73 24.2 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 122.512 1.149 . . . . 0.0 112.73 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -42.46 78.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 111.576 -2.556 . . . . 0.0 110.526 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -145.25 136.7 25.17 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.008 -1.905 . . . . 0.0 108.658 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.31 113.63 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.886 1.366 . . . . 0.0 109.812 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.56 133.57 23.49 Favored Pre-proline 0 N--CA 1.481 1.118 0 O-C-N 124.546 1.154 . . . . 0.0 112.382 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.76 177.63 2.2 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 121.471 1.447 . . . . 0.0 114.905 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.55 121.06 9.26 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.108 1.872 . . . . 0.0 113.915 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.11 4.81 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.449 -1.705 . . . . 0.0 112.575 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -102.13 137.1 40.85 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.91 -1.645 . . . . 0.0 108.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 p -63.19 134.88 95.98 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-N 113.734 -1.575 . . . . 0.0 109.485 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.27 9.9 Cg_endo -69.92 -9.16 25.38 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 121.33 1.353 . . . . 0.0 115.369 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.77 -29.65 70.84 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.314 164.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -31.64 72.94 Favored 'General case' 0 CA--C 1.501 -0.935 0 O-C-N 123.96 0.788 . . . . 0.0 112.255 169.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.2 m -79.35 -30.93 42.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 126.242 2.214 . . . . 0.0 108.792 -173.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.42 -38.55 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 O-C-N 125.877 1.986 . . . . 0.0 110.109 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.85 66.61 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.462 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 68.9 m-20 -65.14 -55.36 19.16 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 115.931 -2.308 . . . . 0.0 113.205 172.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -73.61 -28.95 62.08 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 112.204 -170.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -68.36 -57.23 6.22 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.993 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -66.07 -37.18 85.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.131 -1.395 . . . . 0.0 114.017 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.92 -39.07 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 114.425 -1.261 . . . . 0.0 112.442 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.3 mt -86.62 5.73 34.4 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.153 0.908 . . . . 0.0 112.356 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.65 61.39 2.94 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 122.113 0.84 . . . . 0.0 111.299 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -151.79 160.95 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 112.097 -2.051 . . . . 0.0 106.9 -173.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 CA--C 1.541 0.616 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.077 176.393 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--O 1.225 -0.226 0 CA-C-O 123.511 1.624 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.41 110.62 21.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 109.413 -3.54 . . . . 0.0 109.002 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.422 ' CG2' HG23 ' A' ' 7' ' ' VAL . 47.2 m -82.14 115.95 21.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.678 -2.055 . . . . 0.0 107.805 170.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -105.78 137.32 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 104.416 -2.439 . . . . 0.0 104.416 161.644 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 35' ' ' VAL 0.29 1.3 t -130.13 116.76 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.941 1 CA-C-N 108.112 -4.131 . . . . 0.0 102.98 -168.023 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.7 pp -130.98 129.38 42.02 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 117.19 -1.804 . . . . 0.0 109.313 -175.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.65 145.52 16.05 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 126.574 2.421 . . . . 0.0 108.466 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.69 125.41 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -96.5 117.88 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 112.652 -2.067 . . . . 0.0 106.213 178.049 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.166 0 CA-C-N 110.027 -3.261 . . . . 0.0 109.561 -173.428 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 C--O 1.222 -0.368 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -87.04 62.72 7.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.579 167.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -175.97 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.439 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -44.93 94.09 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 112.576 -2.102 . . . . 0.0 110.32 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -89.37 25.12 2.01 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 112.467 -2.152 . . . . 0.0 111.33 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 7.72 45.8 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.289 167.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.04 25.36 64.39 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-N 113.837 -1.529 . . . . 0.0 111.609 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.01 149.76 27.21 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -77.93 104.63 8.6 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 163.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -121.58 134.49 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 112.606 -2.088 . . . . 0.0 107.187 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -130.81 135.69 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 111.151 -2.749 . . . . 0.0 106.304 -171.077 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -104.12 106.34 16.81 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.072 -1.876 . . . . 0.0 106.783 171.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.74 -23.73 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.953 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.06 179.35 21.98 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.336 173.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -92.5 117.93 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 111.612 -2.294 . . . . 0.0 108.482 -174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.39 139.52 3.96 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 112.934 -1.939 . . . . 0.0 106.587 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.31 73.52 5.93 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.186 171.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -170.38 121.74 0.63 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 118.053 -1.459 . . . . 0.0 114.182 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -47.89 -55.14 10.53 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 114.909 164.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -64.71 -18.16 64.76 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.763 -172.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.42 -37.63 36.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.799 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.29 -37.72 57.12 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.328 1.537 . . . . 0.0 112.218 -177.005 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.67 -37.05 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.497 -3.501 . . . . 0.0 111.955 160.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -66.7 -28.81 68.74 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.344 1.028 . . . . 0.0 112.223 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.08 -28.26 61.3 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 167.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -30.32 69.94 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 116.695 -2.002 . . . . 0.0 113.744 161.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -68.42 -42.6 84.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.04 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 -50.24 13.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 124.322 1.014 . . . . 0.0 109.986 -171.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -13.4 18.6 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 126.299 2.249 . . . . 0.0 114.045 -167.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 75.95 72.63 0.08 Allowed 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.955 1.409 . . . . 0.0 110.186 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 144.48 55.11 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 110.973 -2.83 . . . . 0.0 112.297 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.3 -33.0 16.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.264 152.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 134' ' ' LEU 0.3 2.7 pt? -140.53 144.95 36.23 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.037 1.398 . . . . 0.0 113.739 -179.45 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' HB ' HD22 ' A' ' 88' ' ' LEU . 49.0 mt -122.9 110.93 27.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.926 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.1 t -115.31 114.71 25.53 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.284 -173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 46' ' ' PHE . 4.5 m -97.86 148.26 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.599 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.31 112.85 24.39 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.561 -2.108 . . . . 0.0 108.348 176.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 m -100.88 119.13 38.23 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.521 -175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-N 112.004 -2.362 . . . . 0.0 108.564 175.461 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 CA-C-O 122.681 1.156 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -79.79 -29.57 40.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 111.083 -2.558 . . . . 0.0 111.414 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.08 -40.46 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 113.438 -1.71 . . . . 0.0 109.807 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.57 ' HB2' HD13 ' A' ' 11' ' ' ILE . 11.3 t70 -60.6 -52.33 65.63 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.34 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 108' ' ' PHE . 26.0 p -71.33 -35.49 71.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.855 -170.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -69.26 111.92 5.5 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.085 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.55 14.5 75.88 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 112.544 -2.116 . . . . 0.0 113.424 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -75.78 -30.0 58.95 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 159.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 117.659 -1.616 . . . . 0.0 109.52 172.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.366 32.2 tt0 -77.69 -26.67 50.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 118.461 2.763 . . . . 0.0 118.461 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 60.8 mtpt -76.58 -29.57 56.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.981 1.426 . . . . 0.0 112.818 165.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.1 t -77.61 -29.18 51.76 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 125.253 1.596 . . . . 0.0 112.23 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.32 -45.29 63.35 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.688 -2.96 . . . . 0.0 109.215 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.308 24.8 mm-40 -73.11 -29.65 63.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 109.297 -3.592 . . . . 0.0 112.39 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 0.82 12.01 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.801 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.2 33.51 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.3 mt -138.56 32.14 2.29 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 112.038 -2.081 . . . . 0.0 109.631 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 113.06 11.59 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.598 174.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.94 -29.52 0.6 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.783 -2.462 . . . . 0.0 107.979 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.89 127.15 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 111.7 -2.25 . . . . 0.0 110.172 167.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.97 137.39 32.37 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 110.121 -3.218 . . . . 0.0 108.495 160.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD22 ' HB ' ' A' ' 58' ' ' ILE . 17.8 mt -109.94 136.67 48.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.063 1.411 . . . . 0.0 111.087 -176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.75 148.32 29.62 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 110.754 -2.93 . . . . 0.0 107.839 167.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -136.08 127.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 112.81 -1.995 . . . . 0.0 107.852 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.01 144.1 13.78 Favored Glycine 0 C--N 1.353 1.486 0 C-N-CA 119.359 -1.401 . . . . 0.0 112.562 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.59 -142.52 17.3 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 112.201 -1.999 . . . . 0.0 110.728 172.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.75 81.3 5.8 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.832 -1.684 . . . . 0.0 107.571 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.03 -24.59 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-N 112.747 -2.024 . . . . 0.0 110.732 -166.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.351 0.634 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 167.213 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.482 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.347 1.7 m-90 . . . . . 0 CA--C 1.559 1.311 0 N-CA-C 119.68 3.215 . . . . 0.0 119.68 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.08 -51.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.104 0 CA-C-N 122.123 1.794 . . . . 0.0 111.273 164.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.32 -29.98 38.1 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.07 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.91 -46.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 124.575 1.172 . . . . 0.0 110.514 -170.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -68.63 -40.67 80.19 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.117 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -59.77 -46.2 89.92 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.597 1.185 . . . . 0.0 111.598 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -76.95 -53.02 8.38 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.634 -1.621 . . . . 0.0 110.576 -170.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 12.6 m-30 -70.4 -41.4 73.05 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.448 -1.705 . . . . 0.0 111.562 -168.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -77.19 -38.29 51.82 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.665 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.19 69.76 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.365 1.041 . . . . 0.0 112.115 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.2 mmm -71.0 -54.57 10.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.607 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.15 17.95 0.02 OUTLIER Glycine 0 C--N 1.356 1.644 0 C-N-CA 117.559 -2.258 . . . . 0.0 115.166 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 145.55 30.95 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 122.801 1.286 . . . . 0.0 108.867 169.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -78.29 -57.6 3.7 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 111.583 -2.553 . . . . 0.0 109.446 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.26 152.89 40.66 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 125.092 1.495 . . . . 0.0 110.743 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.482 HG12 ' HE1' ' A' ' 101' ' ' TRP . 38.8 t -123.29 120.2 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 111.974 -2.375 . . . . 0.0 110.398 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -95.6 116.96 66.68 Favored Pre-proline 0 C--N 1.358 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 110.547 170.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -57.29 169.46 2.15 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 120.92 1.08 . . . . 0.0 114.865 167.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -74.37 118.2 5.27 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 120.889 1.059 . . . . 0.0 110.551 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.98 11.51 10.95 Favored Glycine 0 CA--C 1.536 1.362 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.7 m -81.86 137.11 35.3 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 122.42 1.105 . . . . 0.0 109.432 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 p -59.93 164.99 5.15 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 111.598 -2.546 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.13 -10.91 10.03 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 121.317 1.344 . . . . 0.0 113.279 170.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.13 -29.84 60.64 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.268 0.98 . . . . 0.0 110.953 -174.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.56 -35.91 78.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.645 173.374 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 m -79.45 -31.34 42.49 Favored 'General case' 0 N--CA 1.44 -0.969 0 O-C-N 126.708 2.505 . . . . 0.0 109.004 -171.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.91 -41.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 126.549 2.405 . . . . 0.0 110.318 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.512 -1.676 . . . . 0.0 110.314 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 125' ' ' THR . 66.2 t0 -65.93 -49.06 69.31 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 112.232 -2.258 . . . . 0.0 112.677 171.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.6 ptp -69.19 -28.96 66.86 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 118.993 -1.083 . . . . 0.0 111.808 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.94 -57.24 5.26 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 118.295 -1.362 . . . . 0.0 110.08 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.3 -51.36 59.03 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.004 1.44 . . . . 0.0 113.213 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.78 -47.24 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 110.618 -2.992 . . . . 0.0 112.39 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD22 ' A' ' 57' ' ' LEU . 36.3 mt -93.8 13.11 23.47 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.195 0.934 . . . . 0.0 112.19 -170.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 57.17 4.45 Favored Glycine 0 C--N 1.354 1.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.131 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.49 2.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 112.591 -1.805 . . . . 0.0 113.311 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.549 0.908 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.589 -179.375 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 123.339 1.542 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.71 109.91 21.8 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 109.445 -3.525 . . . . 0.0 107.582 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 55' ' ' ALA . 23.5 m -94.85 119.05 32.78 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 110.907 -2.861 . . . . 0.0 106.943 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -113.34 144.9 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 C-N-CA 129.117 2.967 . . . . 0.0 104.623 169.102 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.267 2.0 t -130.05 130.88 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 108.871 -3.786 . . . . 0.0 104.54 -171.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -132.39 129.4 39.31 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.418 -1.313 . . . . 0.0 109.174 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.09 145.19 15.82 Favored Glycine 0 C--N 1.358 1.802 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.461 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.57 120.93 50.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -96.45 117.73 41.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.089 -157.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.58 0 CA-C-N 111.842 -2.435 . . . . 0.0 112.393 172.522 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 122.162 0.982 . . . . 0.0 109.165 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.2 p -137.1 -50.22 0.64 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.895 -168.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -68.78 -47.76 65.39 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.302 -2.226 . . . . 0.0 108.79 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -43.64 98.46 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.005 -1.907 . . . . 0.0 110.126 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 24.37 0.92 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.123 -2.308 . . . . 0.0 112.271 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 5.16 28.93 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.571 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.72 26.78 70.58 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.538 -173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.5 m-85 -98.46 153.34 18.67 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.0 104.82 8.81 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 32' ' ' PHE . 45.6 t -123.14 123.21 67.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.094 -1.866 . . . . 0.0 108.203 -175.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.93 114.77 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 111.027 -2.806 . . . . 0.0 107.226 -173.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.8 105.04 16.03 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 112.824 -1.989 . . . . 0.0 107.327 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.86 -35.33 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 CA-C-N 112.881 -1.963 . . . . 0.0 108.067 168.217 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.67 -150.04 44.21 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 111.921 -2.4 . . . . 0.0 111.942 163.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.21 170.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 110.94 -2.63 . . . . 0.0 109.633 -169.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt 74.11 40.19 0.46 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.998 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.89 166.59 1.23 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.322 -169.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -144.2 -167.81 2.71 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.437 -2.165 . . . . 0.0 108.368 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.06 65.71 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -165.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.31 -35.11 80.0 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 125.282 1.614 . . . . 0.0 111.465 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.0 -16.82 29.04 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.749 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 4.4 m-30 -76.63 -37.17 56.79 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.671 1.701 . . . . 0.0 111.927 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.84 -41.56 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 109.382 -3.554 . . . . 0.0 111.275 158.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -67.53 -28.76 68.08 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.246 0.966 . . . . 0.0 112.58 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.87 63.15 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.87 0.732 . . . . 0.0 110.496 168.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -70.28 -30.44 67.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 115.745 -2.382 . . . . 0.0 113.369 167.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.43 -37.63 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.09 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -76.94 -50.45 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.2 -1.364 . . . . 0.0 112.176 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 5' ' ' THR . 19.6 p -98.89 -27.6 13.83 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 125.604 1.815 . . . . 0.0 114.53 -172.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 90.76 63.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 125.735 1.897 . . . . 0.0 109.82 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -89.05 122.39 32.34 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 110.969 -2.832 . . . . 0.0 110.68 -172.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.1 -14.85 40.22 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 126.181 2.176 . . . . 0.0 109.417 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.44 HD22 HD11 ' A' ' 134' ' ' LEU . 2.6 pt? -135.47 144.39 46.38 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 124.397 2.046 . . . . 0.0 111.636 163.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.566 ' HB ' HD22 ' A' ' 88' ' ' LEU . 24.1 mt -131.71 125.62 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 108.664 -3.88 . . . . 0.0 107.853 -176.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -115.02 141.2 48.32 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 111.146 -2.752 . . . . 0.0 109.545 -176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.48 140.36 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 111.952 -2.385 . . . . 0.0 106.743 163.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.43 112.87 22.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 170.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -133.48 164.12 27.85 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 123.554 1.645 . . . . 0.0 111.86 -158.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 109.419 -3.537 . . . . 0.0 111.854 -166.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.532 1.106 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.12 -27.83 39.08 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.11 -1.045 . . . . 0.0 111.869 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.8 mm -83.92 -44.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.895 -1.502 . . . . 0.0 111.248 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -77.23 -39.61 47.87 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.434 1.084 . . . . 0.0 111.767 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 23.0 p -59.68 -25.77 65.02 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.677 1.235 . . . . 0.0 113.95 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.35 111.74 2.13 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.363 -168.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.79 46.4 17.98 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 112.612 -2.086 . . . . 0.0 111.64 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -75.84 -32.33 59.74 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.822 0.954 . . . . 0.0 112.935 169.153 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.81 -43.41 88.74 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.266 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.509 0.5 OUTLIER -77.32 -26.26 51.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 N-CA-C 118.548 2.796 . . . . 0.0 118.548 176.952 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.373 46.6 tttp -76.02 -28.89 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.787 1.93 . . . . 0.0 112.683 167.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HG ' HD23 ' A' ' 74' ' ' LEU . 98.7 m -69.96 -47.38 62.53 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 123.854 1.788 . . . . 0.0 110.136 170.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.4 -38.64 77.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 108.417 -3.992 . . . . 0.0 110.426 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.1 OUTLIER -73.25 -35.16 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 110.768 -2.924 . . . . 0.0 112.444 179.022 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.18 3.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 111.93 -2.396 . . . . 0.0 112.741 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.44 16.41 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.057 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.56 -167.32 1.73 Allowed 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.087 -2.057 . . . . 0.0 106.265 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' H ' HD12 ' A' ' 86' ' ' ILE 0.28 25.5 mmmt -69.69 -172.82 0.53 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 112.459 -2.155 . . . . 0.0 113.393 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.81 48.25 2.03 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 103.187 -3.965 . . . . 0.0 103.187 159.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.643 HG23 HD21 ' A' ' 88' ' ' LEU 0.252 0.2 OUTLIER -63.75 136.53 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.98 0 CA-C-N 108.687 -3.756 . . . . 0.0 107.134 -165.922 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 75.1 mmtt -87.72 123.97 33.1 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 109.387 -3.552 . . . . 0.0 109.333 -159.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 86' ' ' ILE . 28.0 mt -117.26 140.11 49.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.377 -159.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -107.77 141.35 39.46 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 110.014 -3.266 . . . . 0.0 107.143 173.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 123.88 34.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.547 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.09 21.1 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-N 113.747 -1.57 . . . . 0.0 112.29 -167.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.48 -149.45 19.25 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 111.634 -2.283 . . . . 0.0 110.411 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.02 115.95 22.07 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 112.514 -1.843 . . . . 0.0 107.487 172.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.6 pt -137.05 -22.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 CA-C-N 113.457 -1.701 . . . . 0.0 111.691 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.356 0.848 0 CA-C-O 123.035 1.398 . . . . 0.0 108.261 167.616 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.601 2.8 m-90 . . . . . 0 CA--C 1.536 0.434 0 N-CA-C 118.515 2.784 . . . . 0.0 118.515 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.99 -38.97 32.46 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 CA-C-N 120.663 1.273 . . . . 0.0 114.758 167.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.21 -44.54 19.57 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 112.926 -1.943 . . . . 0.0 111.983 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.01 -59.12 4.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 124.378 1.049 . . . . 0.0 110.138 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.6 -27.97 69.57 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 125.121 1.513 . . . . 0.0 113.093 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.49 -50.05 74.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.479 171.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -68.19 -45.79 72.43 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 112.997 -1.91 . . . . 0.0 111.864 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -75.15 -28.88 60.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.735 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -68.59 -32.34 72.17 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.762 172.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.94 64.53 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.212 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.9 mtt -70.77 -31.88 68.81 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.203 0.939 . . . . 0.0 110.777 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.88 23.77 6.04 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.457 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -81.17 115.83 20.78 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 163.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.274 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -145.06 135.55 24.27 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 109.583 -171.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.27 113.91 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.478 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -89.48 117.01 67.79 Favored Pre-proline 0 C--N 1.357 0.902 0 O-C-N 124.698 1.249 . . . . 0.0 109.768 170.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.88 171.82 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 120.698 0.932 . . . . 0.0 114.507 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -74.57 117.75 5.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 120.731 0.954 . . . . 0.0 110.43 175.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.63 3.09 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.926 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -98.11 137.17 37.28 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.764 -1.218 . . . . 0.0 108.462 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -60.1 161.13 13.6 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 112.363 -2.199 . . . . 0.0 109.84 171.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.06 -13.75 8.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 122.876 0.935 . . . . 0.0 113.981 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -29.83 69.03 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.213 0.946 . . . . 0.0 110.287 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -67.29 -37.72 83.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 113.168 -1.833 . . . . 0.0 112.038 175.357 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.6 m -79.54 -34.46 41.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.445 2.341 . . . . 0.0 109.495 -169.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -75.1 -41.62 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.368 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.9 63.89 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.859 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' THR . 63.0 t0 -62.19 -55.1 31.91 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 112.142 -2.299 . . . . 0.0 112.628 169.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -67.61 -28.75 68.01 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 119.42 -0.912 . . . . 0.0 112.646 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.42 -57.08 10.28 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.78 -49.61 75.68 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.645 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.76 -47.06 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.221 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 57' ' ' LEU . 35.3 mt -87.9 -1.29 57.89 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 124.583 1.177 . . . . 0.0 111.768 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.53 73.7 1.04 Allowed Glycine 0 C--N 1.354 1.544 0 O-C-N 124.271 0.982 . . . . 0.0 110.845 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.8 t -145.27 165.98 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 CA-C-N 112.423 -1.888 . . . . 0.0 106.919 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 113.517 -1.674 . . . . 0.0 110.269 179.564 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.158 0 CA-C-O 123.064 1.412 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -117.15 114.51 23.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 110.034 -3.257 . . . . 0.0 109.045 -170.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -84.01 138.58 33.02 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 111.306 -2.679 . . . . 0.0 107.729 172.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -131.51 149.19 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.047 0 C-N-CA 128.092 2.557 . . . . 0.0 105.777 169.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 37' ' ' ILE 0.288 0.9 OUTLIER -124.49 133.67 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.126 1 CA-C-N 107.56 -4.382 . . . . 0.0 103.538 -172.938 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.42 129.08 38.84 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.933 163.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.91 146.29 16.26 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 111.244 -2.707 . . . . 0.0 108.444 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.08 120.6 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 165.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 tt -99.22 133.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 O-C-N 125.925 2.016 . . . . 0.0 108.46 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.052 0 CA-C-N 112.571 -2.104 . . . . 0.0 111.529 177.625 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 122.571 1.177 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t 178.44 -32.61 0.01 OUTLIER 'General case' 0 C--N 1.345 0.382 0 CA-C-N 110.987 -2.824 . . . . 0.0 108.191 163.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.8 -45.35 86.66 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.821 1.326 . . . . 0.0 109.07 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -44.89 96.31 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.213 -2.267 . . . . 0.0 109.576 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -89.87 37.86 0.9 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.119 -2.31 . . . . 0.0 111.53 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 20.07 3.3 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.014 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.42 29.64 75.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 113.346 -1.752 . . . . 0.0 112.679 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.28 152.22 20.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 t -125.81 134.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 O-C-N 125.27 1.606 . . . . 0.0 108.686 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.5 t -133.03 119.2 35.78 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 111.787 -2.461 . . . . 0.0 108.219 -162.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -85.94 109.98 19.13 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.686 1.241 . . . . 0.0 108.084 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.606 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -92.31 -42.02 13.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 112.823 -1.989 . . . . 0.0 111.524 -164.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.16 121.73 0.58 Allowed Glycine 0 C--N 1.35 1.35 0 C-N-CA 118.117 -1.992 . . . . 0.0 111.108 -171.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.75 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-N 112.095 -2.052 . . . . 0.0 108.291 167.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.3 -119.87 1.01 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 112.251 -2.249 . . . . 0.0 108.608 -162.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p 58.16 -158.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.177 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -162.25 -166.3 1.37 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.42 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -50.25 -35.85 28.72 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.864 1.977 . . . . 0.0 114.478 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.98 -21.73 66.89 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 117.978 -1.489 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -81.08 -42.28 21.25 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 124.743 1.277 . . . . 0.0 111.875 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -75.96 -31.05 58.86 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.0 0.905 . . . . 0.0 111.941 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.09 -32.92 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 111.465 -2.607 . . . . 0.0 110.512 168.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.04 -41.09 97.52 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.086 -1.445 . . . . 0.0 109.882 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.82 61.45 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 124.646 1.216 . . . . 0.0 111.336 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.35 56.28 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 116.489 -2.085 . . . . 0.0 112.889 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.83 -39.38 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.68 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.23 -50.46 14.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.434 -1.257 . . . . 0.0 113.147 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.6 p -97.65 -28.98 13.67 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 125.28 1.612 . . . . 0.0 113.926 -171.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 99.33 55.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 126.234 2.209 . . . . 0.0 110.792 168.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.78 16.64 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 111.723 -2.489 . . . . 0.0 111.505 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.42 -27.29 24.26 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.165 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.2 144.85 36.79 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.296 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 88' ' ' LEU . 92.8 mt -129.8 125.26 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 111.167 -2.742 . . . . 0.0 106.699 -175.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -114.97 114.77 25.87 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.82 -170.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -107.85 121.82 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 111.692 -2.504 . . . . 0.0 108.322 -177.065 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.83 121.65 45.17 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.572 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -100.77 121.03 40.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 113.474 -1.694 . . . . 0.0 108.535 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.54 0.581 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.07 176.597 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.42 -32.63 54.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.486 -0.857 . . . . 0.0 111.907 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.37 -44.45 35.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.179 -165.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -77.47 -42.67 34.97 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.59 -1.641 . . . . 0.0 112.138 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 60' ' ' VAL . 26.3 t -78.04 -41.37 35.83 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.453 1.095 . . . . 0.0 112.944 -163.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -69.06 133.85 48.63 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.426 1.079 . . . . 0.0 111.371 -170.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.84 25.92 63.67 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 112.309 -2.223 . . . . 0.0 111.935 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 tp -75.64 -26.1 57.44 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.941 1.024 . . . . 0.0 112.115 158.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.573 ' H ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.04 -36.07 66.86 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 124.672 1.233 . . . . 0.0 108.64 173.241 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.292 25.7 mt-10 -77.6 -26.59 50.79 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.311 15.3 tptm -76.45 -29.4 56.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 125.606 1.816 . . . . 0.0 112.692 167.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.1 m -77.13 -40.38 45.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 125.45 1.719 . . . . 0.0 110.318 172.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.37 -42.34 95.61 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 110.902 -2.863 . . . . 0.0 109.898 173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.302 25.0 mm-40 -73.23 -29.78 63.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 109.702 -3.408 . . . . 0.0 112.726 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 -2.02 21.99 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.258 -1.792 . . . . 0.0 113.199 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.93 42.09 17.14 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 mt -145.37 59.77 1.28 Allowed 'General case' 0 C--N 1.346 0.432 0 CA-C-N 111.336 -2.432 . . . . 0.0 107.574 -175.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.15 116.74 29.12 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.699 -2.046 . . . . 0.0 108.242 172.066 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.9 -24.2 2.27 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-N 112.32 -2.218 . . . . 0.0 108.037 -164.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.559 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.4 mp -64.82 124.64 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 111.702 -2.249 . . . . 0.0 108.115 166.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -109.12 132.62 53.94 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 110.774 -2.921 . . . . 0.0 107.484 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 58' ' ' ILE . 7.4 mt -109.79 133.8 52.74 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.141 1.448 . . . . 0.0 110.626 -170.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 20.3 m-30 -107.63 136.81 46.76 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.849 -3.342 . . . . 0.0 106.478 166.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.03 123.8 35.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.011 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.47 152.24 19.98 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.077 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.6 -140.68 16.4 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 112.824 -1.688 . . . . 0.0 110.897 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.65 82.29 2.0 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.005 -2.098 . . . . 0.0 107.963 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 94' ' ' ILE . 1.8 pt -97.08 -41.5 11.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.729 -162.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' VAL . 11.3 t . . . . . 0 CA--C 1.553 1.081 0 CA-C-O 122.75 1.262 . . . . 0.0 111.907 162.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.593 1.8 m-90 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 119.406 3.114 . . . . 0.0 119.406 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.04 -38.46 31.9 Favored 'Trans proline' 0 CA--C 1.556 1.578 0 CA-C-N 120.93 1.368 . . . . 0.0 114.472 166.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -80.11 -49.52 11.61 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.886 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.2 -48.1 87.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 124.332 1.02 . . . . 0.0 111.047 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.01 -35.51 78.42 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.006 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.47 -39.86 89.14 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.714 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -72.69 -53.09 12.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.451 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.81 -51.27 42.65 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.769 -1.559 . . . . 0.0 110.32 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -66.11 -39.58 90.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.545 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.42 75.09 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.418 1.074 . . . . 0.0 111.987 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.5 mmt -79.35 -20.02 48.84 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.121 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.03 -35.02 0.24 Allowed Glycine 0 C--N 1.358 1.798 0 C-N-CA 117.163 -2.446 . . . . 0.0 114.834 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.483 ' HZ ' ' HG ' ' A' ' 71' ' ' CYS . 54.9 m-85 -60.0 144.14 50.03 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.288 1.042 . . . . 0.0 111.255 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.75 -56.23 5.25 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.617 -2.083 . . . . 0.0 109.454 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -145.2 150.96 37.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.441 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.26 132.7 70.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 113.294 -1.776 . . . . 0.0 108.89 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -92.92 116.75 66.99 Favored Pre-proline 0 C--N 1.356 0.881 0 O-C-N 124.618 1.199 . . . . 0.0 110.851 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.92 132.56 52.74 Favored 'Trans proline' 0 C--N 1.37 1.686 0 O-C-N 123.172 1.09 . . . . 0.0 112.098 159.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -65.08 111.38 1.74 Allowed 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 120.779 0.986 . . . . 0.0 110.971 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.22 -0.27 3.53 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 112.359 -2.201 . . . . 0.0 112.32 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 m -74.39 137.14 42.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 122.282 1.039 . . . . 0.0 109.788 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -57.26 165.94 1.79 Allowed Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 111.833 -2.439 . . . . 0.0 110.054 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 -14.86 8.25 Favored 'Trans proline' 0 C--N 1.354 0.82 0 O-C-N 122.642 0.812 . . . . 0.0 113.874 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.28 -29.66 65.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.47 1.106 . . . . 0.0 111.269 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -31.87 68.82 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.229 -1.805 . . . . 0.0 112.127 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -79.4 -32.67 43.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.948 2.03 . . . . 0.0 109.189 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.415 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.9 mt -75.1 -40.07 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.257 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.01 63.87 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.955 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 52.0 m-20 -63.41 -55.23 25.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 116.719 -1.992 . . . . 0.0 112.333 170.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.7 ptp -67.43 -29.01 68.38 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.872 0.733 . . . . 0.0 112.304 -171.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -71.87 -57.1 4.61 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.772 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -60.26 -30.94 69.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.15 -1.387 . . . . 0.0 113.993 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.94 -46.85 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.865 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 74.9 mt -95.88 21.63 8.35 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.494 1.121 . . . . 0.0 112.345 -170.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.68 59.84 4.6 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.082 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.72 155.12 8.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.479 -1.86 . . . . 0.0 107.177 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 113.344 -1.753 . . . . 0.0 109.177 -179.854 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 123.347 1.546 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -112.23 109.57 19.32 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 109.393 -3.548 . . . . 0.0 105.323 157.836 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 53' ' ' THR . 14.0 m -98.25 137.98 36.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.207 -2.27 . . . . 0.0 107.924 -178.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -118.02 122.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 111.903 -2.408 . . . . 0.0 105.308 171.69 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.299 0.9 OUTLIER -107.9 116.76 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 109.546 -3.479 . . . . 0.0 104.265 -167.177 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.55 128.7 46.07 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 117.173 -1.811 . . . . 0.0 110.723 179.573 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.697 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.32 145.87 16.02 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 110.526 -3.034 . . . . 0.0 110.14 173.492 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.45 120.26 46.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 116.522 -2.071 . . . . 0.0 106.687 163.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 5.7 tt -97.52 132.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 111.383 -2.644 . . . . 0.0 109.557 -167.261 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.427 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.387 -179.384 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m170 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.73 0.776 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 39.2 t 89.72 -21.08 0.13 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 111.431 -2.622 . . . . 0.0 111.352 -171.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -87.55 -47.05 9.03 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -44.63 96.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.873 171.668 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -95.38 50.8 1.26 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.647 178.155 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . -138.4 16.4 2.76 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.109 -1.859 . . . . 0.0 108.798 160.124 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.53 89.81 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 113.69 -1.596 . . . . 0.0 112.062 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 151.5 21.45 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 173.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -77.9 114.06 16.4 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 171.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 6' ' ' ILE . 58.2 t -127.08 108.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 O-C-N 124.888 1.368 . . . . 0.0 108.666 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.19 137.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 110.996 -2.82 . . . . 0.0 107.707 176.064 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.28 124.48 44.41 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 113.122 -1.853 . . . . 0.0 107.993 172.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 9' ' ' GLY . 60.9 mt -68.93 -42.12 82.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 112.742 -2.027 . . . . 0.0 109.827 177.219 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.81 -157.93 19.95 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.265 -175.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -109.15 156.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 111.868 -2.166 . . . . 0.0 108.946 -175.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' H ' ' A' ' 41' ' ' SER . 2.4 tp 65.52 -137.4 0.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.896 177.418 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.503 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 40.5 t 55.81 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.354 0.761 0 C-N-CA 125.36 1.464 . . . . 0.0 112.154 -175.341 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -119.67 -159.91 0.8 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 111.967 -2.379 . . . . 0.0 106.84 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -48.19 -28.53 3.05 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 112.651 -2.068 . . . . 0.0 113.709 174.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -60.74 -39.27 88.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.3 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.0 -21.34 24.88 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 118.019 -1.473 . . . . 0.0 111.252 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.23 -34.23 59.21 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 123.213 1.482 . . . . 0.0 112.703 -179.198 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.6 -49.27 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 109.823 -3.353 . . . . 0.0 110.146 156.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.07 -28.89 67.76 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.128 1.518 . . . . 0.0 113.381 -167.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 53' ' ' THR . . . -73.86 -28.54 61.63 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 117.409 -1.282 . . . . 0.0 111.291 169.664 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 58' ' ' ILE . . . -75.46 -30.38 59.94 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 118.738 -1.185 . . . . 0.0 113.376 172.027 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.2 -37.55 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.604 170.414 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.4 -50.73 29.04 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.474 -170.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 5' ' ' THR . 1.6 t -91.81 -41.11 10.84 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.014 -171.174 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mmpt? 85.77 79.81 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.296 -2.683 . . . . 0.0 109.68 -162.104 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.94 136.07 56.4 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 112.036 -2.347 . . . . 0.0 109.933 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -90.28 -32.24 16.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.433 1.083 . . . . 0.0 109.885 164.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 HG22 ' A' ' 6' ' ' ILE . 2.3 pt? -140.23 145.01 36.82 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.384 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 50' ' ' ALA . 30.5 mt -121.86 131.76 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 111.65 -2.523 . . . . 0.0 106.867 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -115.33 138.48 50.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 110.811 -2.904 . . . . 0.0 108.472 -173.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 136.11 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 111.411 -2.631 . . . . 0.0 108.11 -178.139 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.08 112.7 23.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 125.26 1.6 . . . . 0.0 108.452 178.497 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -104.03 163.78 12.15 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.603 -175.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.545 0.758 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.451 -178.739 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.805 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.47 -28.45 37.58 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.589 -1.305 . . . . 0.0 112.823 174.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.0 mt -68.37 -44.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.634 -172.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.38 -52.89 8.39 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.055 -1.884 . . . . 0.0 111.799 175.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 11' ' ' ILE . 91.2 m -62.9 -51.14 68.11 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.555 -169.097 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -69.83 113.45 7.08 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.093 1.496 . . . . 0.0 110.788 -170.486 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.02 16.23 21.85 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 112.618 -2.083 . . . . 0.0 112.348 -176.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.6 tp -75.59 -25.81 57.33 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.742 0.817 . . . . 0.0 111.667 156.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.429 HH21 ' HB3' ' A' ' 111' ' ' MET . 66.4 ttp85 -59.16 -54.5 46.2 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.234 170.252 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.436 24.5 tt0 -77.54 -25.95 50.57 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 118.198 2.666 . . . . 0.0 118.198 -179.112 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.35 27.2 tttp -76.13 -29.11 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 125.142 1.526 . . . . 0.0 112.012 167.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 86' ' ' ILE . 12.4 p -77.03 -41.45 42.56 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 117.662 -1.615 . . . . 0.0 110.146 174.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.74 -38.37 90.25 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 110.181 -3.19 . . . . 0.0 110.568 176.154 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.292 27.2 mm-40 -73.42 -30.76 63.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 110.949 -2.841 . . . . 0.0 112.826 175.279 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.34 0.05 15.6 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.429 -1.714 . . . . 0.0 113.058 178.015 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 44.04 9.04 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-O 122.269 0.927 . . . . 0.0 110.811 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 86' ' ' ILE . 39.0 mt -138.61 63.02 1.53 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 111.867 -2.166 . . . . 0.0 107.142 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -92.08 116.81 29.25 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 111.956 -2.384 . . . . 0.0 108.303 172.285 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.07 -24.15 2.08 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 112.366 -2.197 . . . . 0.0 108.378 -171.043 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -65.63 124.47 20.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.102 167.011 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -109.42 130.29 55.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 109.749 -3.387 . . . . 0.0 106.539 169.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -109.41 132.61 53.96 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 123.439 1.59 . . . . 0.0 111.478 -165.309 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -109.61 129.81 55.56 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 108.976 -3.738 . . . . 0.0 106.821 166.599 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.87 123.78 57.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 113.756 -1.566 . . . . 0.0 108.715 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.26 22.33 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.82 -166.815 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.35 -149.16 17.02 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 111.86 -2.17 . . . . 0.0 108.455 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -91.51 82.95 5.33 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.907 -1.647 . . . . 0.0 106.962 168.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.3 pt -79.57 -37.06 18.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.091 -169.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 95' ' ' VAL . 41.9 t . . . . . 0 CA--C 1.545 0.769 0 CA-C-N 113.045 -1.889 . . . . 0.0 111.757 166.111 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.423 1.4 m-90 . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 120.032 3.345 . . . . 0.0 120.032 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -47.9 -52.07 8.81 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 CA-C-N 121.123 1.437 . . . . 0.0 114.319 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -73.14 -47.62 42.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.923 179.466 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HA ' HH21 ' A' ' 107' ' ' ARG . 93.8 t -66.32 -51.6 56.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.168 -170.453 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.44 -40.28 64.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 113.419 -1.719 . . . . 0.0 110.677 -170.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.44 -29.96 71.16 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.934 1.397 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 HH21 ' HA ' ' A' ' 104' ' ' VAL . 14.4 ttp180 -69.56 -49.83 50.6 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.258 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.74 -33.44 73.91 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.884 -1.507 . . . . 0.0 112.142 -177.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -77.78 -28.94 50.62 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.865 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.03 -27.93 69.14 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.172 175.114 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.429 ' HB3' HH21 ' A' ' 75' ' ' ARG . 19.5 mmt -70.74 -64.16 0.95 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.775 166.671 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.52 2.38 0.1 OUTLIER Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.716 177.002 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -59.9 115.97 3.78 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.571 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.12 70.43 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.916 -161.1 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -136.66 147.97 47.14 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 123.227 1.489 . . . . 0.0 110.253 176.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.05 113.83 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 110.332 -3.122 . . . . 0.0 108.513 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.16 118.43 55.97 Favored Pre-proline 0 C--N 1.352 0.685 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.703 -170.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.87 167.56 2.23 Favored 'Trans proline' 0 C--N 1.369 1.637 0 N-CA-C 115.806 1.425 . . . . 0.0 115.806 169.172 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.02 -1.51 6.3 Favored 'Trans proline' 0 C--N 1.371 1.711 0 N-CA-C 118.293 2.382 . . . . 0.0 118.293 -172.778 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.62 69.54 0.3 Allowed Glycine 0 C--N 1.347 1.176 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -176.292 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.36 40.4 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 112.039 -2.081 . . . . 0.0 108.713 176.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 159.79 1.65 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 113.052 -1.885 . . . . 0.0 110.233 165.361 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.99 -18.39 6.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 123.01 1.005 . . . . 0.0 113.059 174.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -73.13 -29.73 63.1 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.177 -169.125 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -31.81 67.36 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.194 175.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.4 m -79.23 -37.06 38.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 126.176 2.172 . . . . 0.0 108.296 -172.252 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.1 -37.17 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 110.695 -2.957 . . . . 0.0 109.823 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.02 63.97 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.667 173.058 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -62.56 -55.33 28.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 115.871 -2.332 . . . . 0.0 112.25 170.879 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 18.4 ptp -67.37 -28.93 68.35 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.868 0.73 . . . . 0.0 111.779 -172.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -68.86 -54.81 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.2 176.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.98 -51.39 69.86 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.798 -1.092 . . . . 0.0 113.781 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.01 -46.99 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.705 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.44 -1.71 42.69 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.714 -175.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.84 63.31 1.91 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.841 167.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.7 p -161.1 149.97 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 111.674 -2.263 . . . . 0.0 109.753 -172.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.548 0.873 0 CA-C-N 109.216 -3.629 . . . . 0.0 110.983 -172.597 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -102.16 109.83 21.64 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.517 -1.674 . . . . 0.0 107.302 162.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 55' ' ' ALA . 36.4 m -83.47 125.06 31.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.121 -1.854 . . . . 0.0 107.133 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.85 146.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 111.488 -2.596 . . . . 0.0 104.798 156.75 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG13 HG21 ' A' ' 37' ' ' ILE 0.269 1.2 t -130.16 125.75 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-N 109.043 -3.708 . . . . 0.0 103.42 -166.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.57 129.12 38.59 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 116.996 -1.882 . . . . 0.0 109.993 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.98 146.15 16.2 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 111.418 -2.628 . . . . 0.0 110.051 170.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -97.43 120.61 46.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.216 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.815 HD13 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -96.77 117.96 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 111.786 -2.461 . . . . 0.0 109.781 -168.735 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.557 0 CA-C-N 111.2 -2.727 . . . . 0.0 113.687 171.458 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 m80 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -67.21 -46.38 74.04 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.997 174.288 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -70.88 -42.76 69.59 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.675 -2.057 . . . . 0.0 110.476 -176.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -42.79 99.64 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.705 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -90.72 19.45 5.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 112.923 -1.944 . . . . 0.0 111.682 178.792 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.67 2.64 56.61 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.084 166.069 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 24.44 73.55 Favored Glycine 0 C--N 1.356 1.67 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.181 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.35 152.98 18.37 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 118.454 -1.298 . . . . 0.0 108.349 -177.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -77.96 104.93 8.83 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 165.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.97 108.86 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.564 -172.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.46 118.87 53.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.147 -176.3 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -85.85 108.88 18.34 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.889 -1.959 . . . . 0.0 108.179 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.519 HG21 HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -78.82 -25.71 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 112.394 -2.185 . . . . 0.0 110.77 -174.9 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 176.12 22.78 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.235 175.55 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -87.26 117.93 32.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 112.361 -1.92 . . . . 0.0 109.505 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -164.09 139.5 6.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.008 173.461 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -85.06 90.84 7.95 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.615 163.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.15 127.77 0.1 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.5 1.143 . . . . 0.0 112.439 173.441 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 5.6 mm100 -47.93 -55.23 10.41 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 112.184 -2.28 . . . . 0.0 112.506 169.348 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.8 -19.96 64.55 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.421 1.075 . . . . 0.0 113.334 -164.468 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -77.12 -44.9 28.73 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.33 1.019 . . . . 0.0 111.261 175.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CE2' HG13 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -76.24 -34.89 59.19 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 122.797 1.284 . . . . 0.0 113.436 -175.401 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.61 -45.27 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 110.329 -3.123 . . . . 0.0 110.619 161.096 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.04 -28.76 66.84 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.89 1.369 . . . . 0.0 112.08 -171.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -28.33 62.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.199 0.937 . . . . 0.0 112.413 171.133 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -74.01 -30.3 62.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 117.921 -1.512 . . . . 0.0 113.768 166.558 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.05 -43.04 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.657 173.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.15 -50.65 12.52 Favored 'General case' 0 CA--C 1.493 -1.224 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.315 -168.591 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.26 0.0 OUTLIER -105.17 -9.84 17.49 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 110.522 -3.035 . . . . 0.0 113.617 -165.525 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 73.63 59.83 0.09 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 124.98 1.425 . . . . 0.0 110.025 167.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' H ' ' HA ' ' A' ' 50' ' ' ALA . . . -83.87 122.58 28.9 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.037 -169.843 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.22 -28.27 63.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.892 173.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 134' ' ' LEU 0.261 2.7 pt? -140.38 144.92 36.48 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.91 1.814 . . . . 0.0 112.508 175.832 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.618 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.0 mt -126.15 128.28 71.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 109.33 -3.577 . . . . 0.0 108.531 -177.455 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 41.8 t -115.07 136.75 52.78 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 112.46 -2.155 . . . . 0.0 109.049 -175.202 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.12 121.72 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 111.649 -2.523 . . . . 0.0 106.15 179.208 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -114.83 112.68 23.15 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.775 1.297 . . . . 0.0 108.616 175.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 p -100.86 155.87 17.69 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.848 -178.127 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.487 0 CA-C-N 110.731 -2.941 . . . . 0.0 110.176 -166.341 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.834 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -27.95 68.12 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.253 -1.474 . . . . 0.0 112.453 177.253 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -68.16 -44.66 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.285 -170.169 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 t70 -77.91 -56.12 4.75 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.027 170.645 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.815 ' SG ' HD13 ' A' ' 11' ' ' ILE . 64.5 m -64.48 -25.71 68.12 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 113.501 -1.681 . . . . 0.0 115.04 -164.185 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -57.0 111.44 1.04 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.192 0.932 . . . . 0.0 109.99 -177.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.67 40.84 36.78 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 118.581 -1.771 . . . . 0.0 110.784 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.43 -26.23 58.17 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 126.364 1.861 . . . . 0.0 110.316 161.707 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -73.08 -32.02 64.74 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 117.619 -1.632 . . . . 0.0 109.507 172.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.351 33.6 tt0 -77.59 -26.43 50.76 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 169.931 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 5.3 tmtt? -76.18 -29.21 57.6 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 125.748 1.905 . . . . 0.0 112.72 166.8 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.47 ' SG ' HD12 ' A' ' 58' ' ' ILE . 69.9 m -77.14 -40.94 43.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 125.667 1.854 . . . . 0.0 110.495 171.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.87 -43.42 85.99 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 110.676 -2.965 . . . . 0.0 109.658 172.288 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 26.2 mm-40 -73.17 -29.88 63.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 109.172 -3.649 . . . . 0.0 112.226 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -3.19 27.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.343 176.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.67 46.49 7.86 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-O 122.471 1.039 . . . . 0.0 110.754 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.406 ' HB3' HD12 ' A' ' 86' ' ' ILE . 83.6 mt -149.28 70.32 1.08 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 111.535 -2.332 . . . . 0.0 106.812 -175.579 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.65 127.03 55.99 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.24 -2.254 . . . . 0.0 110.449 -173.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.12 -28.0 5.46 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 107.104 -2.398 . . . . 0.0 107.104 -172.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.767 HG22 HD21 ' A' ' 88' ' ' LEU . 56.3 mt -64.93 124.74 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-N 110.136 -3.032 . . . . 0.0 109.322 165.778 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.586 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 mttt -108.52 130.8 55.27 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 110.93 -2.85 . . . . 0.0 109.166 -178.197 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 86' ' ' ILE . 4.7 mt -120.88 149.31 42.79 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.477 -172.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -114.77 131.46 56.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 109.48 -3.509 . . . . 0.0 109.807 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 5.6 p -125.86 123.84 65.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 114.092 -1.413 . . . . 0.0 109.053 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.91 152.19 20.66 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.814 -174.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.51 -122.37 7.17 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.887 -2.157 . . . . 0.0 112.076 164.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.41 71.93 3.77 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.374 1.083 . . . . 0.0 109.154 -175.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 95' ' ' VAL . 1.2 pt -86.25 -78.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 112.09 -2.323 . . . . 0.0 107.497 -172.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' H ' HG13 ' A' ' 94' ' ' ILE . 3.4 t . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.386 -1.733 . . . . 0.0 112.835 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.433 4.4 m-90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 118.815 2.895 . . . . 0.0 118.815 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.96 -50.0 12.7 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 N-CA-C 115.123 1.163 . . . . 0.0 115.123 173.665 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.8 -48.38 66.45 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.468 -1.697 . . . . 0.0 111.517 174.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.43 -59.08 4.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.166 -167.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.47 -27.97 69.35 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.75 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -58.52 -38.02 76.85 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 117.784 -1.567 . . . . 0.0 111.461 173.05 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -69.99 -53.35 18.07 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.372 -179.393 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -72.36 -54.98 7.86 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.721 -167.355 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -63.34 -28.67 70.16 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.6 177.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.85 76.06 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.59 -1.244 . . . . 0.0 112.643 175.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.6 mmt -65.43 -29.94 70.68 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 119.022 -1.071 . . . . 0.0 112.118 173.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.76 20.22 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.544 176.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.16 146.56 30.47 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.084 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.24 -72.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -158.174 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -144.26 149.18 35.9 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.118 0.886 . . . . 0.0 110.181 -162.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.23 137.57 55.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.072 -175.685 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.63 146.97 41.08 Favored Pre-proline 0 C--N 1.356 0.872 0 CA-C-N 112.05 -2.341 . . . . 0.0 111.828 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -68.69 178.17 4.16 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.697 1.598 . . . . 0.0 113.437 170.368 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.44 122.42 2.79 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 122.238 1.958 . . . . 0.0 109.641 161.718 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.5 56.53 2.0 Allowed Glycine 0 C--N 1.349 1.3 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.741 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.104 -2.048 . . . . 0.0 107.851 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.5 p -60.33 116.97 20.07 Favored Pre-proline 0 C--N 1.351 0.662 0 O-C-N 125.443 1.715 . . . . 0.0 107.602 163.285 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -64.95 -9.72 22.55 Favored 'Trans proline' 0 C--N 1.365 1.439 0 O-C-N 122.671 0.827 . . . . 0.0 114.129 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.02 -37.18 19.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 125.251 1.595 . . . . 0.0 112.459 169.239 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -32.66 52.66 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.997 -1.456 . . . . 0.0 112.708 -177.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.3 -34.21 42.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 126.001 2.063 . . . . 0.0 109.336 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.416 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 70.9 mt -75.24 -39.41 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 111.236 -2.711 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.99 63.61 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.286 -1.779 . . . . 0.0 111.378 174.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -64.11 -55.16 23.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 116.406 -2.118 . . . . 0.0 113.303 170.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 19.1 ptp -64.84 -28.97 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.096 0.872 . . . . 0.0 110.964 -174.209 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -67.62 -57.12 6.97 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.795 177.722 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -66.55 -57.17 7.83 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 117.506 -1.678 . . . . 0.0 114.213 -177.104 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -34.55 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 112.069 -2.332 . . . . 0.0 113.881 -170.269 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.453 HD11 HD22 ' A' ' 57' ' ' LEU . 36.1 mt -89.31 -18.61 26.61 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.131 0.894 . . . . 0.0 111.127 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.11 78.72 1.31 Allowed Glycine 0 C--N 1.353 1.498 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.068 178.708 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.69 162.57 5.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 112.33 -1.935 . . . . 0.0 107.017 -173.118 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.483 176.244 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HG2' HD13 ' A' ' 134' ' ' LEU . 11.4 mptt -96.04 109.89 22.22 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 113.15 -1.841 . . . . 0.0 108.068 167.071 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.0 m -87.19 140.17 29.82 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.831 -1.986 . . . . 0.0 106.922 170.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 149.32 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.915 0 C-N-CA 129.952 3.301 . . . . 0.0 105.003 176.599 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.695 HG13 HD11 ' A' ' 37' ' ' ILE 0.281 2.4 t -123.88 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 1 CA-C-N 108.163 -4.108 . . . . 0.0 104.12 177.52 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.12 128.22 37.65 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 115.643 -2.423 . . . . 0.0 105.639 155.439 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HB ' ' A' ' 37' ' ' ILE . . . -124.32 145.27 15.79 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.637 -2.074 . . . . 0.0 108.259 -177.251 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.41 120.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 117.774 -1.571 . . . . 0.0 107.41 -177.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 tt -98.88 144.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 CA-C-N 110.696 -2.956 . . . . 0.0 110.666 -156.828 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.289 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.498 165.648 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 t60 . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -84.61 -24.34 29.18 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 125.444 1.715 . . . . 0.0 111.096 -175.34 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.07 -43.15 58.81 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.959 -1.473 . . . . 0.0 108.81 176.27 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.65 97.72 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.68 -2.054 . . . . 0.0 109.868 175.142 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -89.27 38.3 0.89 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.884 176.481 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.77 22.59 3.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.231 165.876 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.62 33.81 88.23 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-N 112.788 -2.006 . . . . 0.0 112.844 177.655 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.08 148.98 28.11 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.207 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.82 104.79 10.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 168.544 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 59.6 t -122.54 131.51 73.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.188 -1.824 . . . . 0.0 107.878 -172.19 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.08 110.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.155 -2.293 . . . . 0.0 107.762 -168.426 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -86.65 111.48 20.7 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.304 -1.771 . . . . 0.0 108.685 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.695 HD11 HG13 ' A' ' 7' ' ' VAL . 2.9 mm -77.86 -39.96 26.6 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.252 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.88 175.78 51.15 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.458 -174.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.99 162.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.628 -1.786 . . . . 0.0 110.716 -175.201 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt 71.27 77.94 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.157 -2.292 . . . . 0.0 109.37 173.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 p 152.23 152.04 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 109.758 -3.383 . . . . 0.0 104.471 -161.107 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -150.28 -150.87 0.37 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.073 -1.421 . . . . 0.0 108.334 -169.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -47.96 -48.76 32.07 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 125.226 1.41 . . . . 0.0 113.914 -169.608 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.74 -27.58 68.41 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 124.914 1.384 . . . . 0.0 112.176 -173.567 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.776 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.58 -34.39 58.44 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.953 1.359 . . . . 0.0 113.162 -177.092 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.87 -46.33 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 110.099 -3.228 . . . . 0.0 111.792 156.661 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.94 -28.78 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.784 1.303 . . . . 0.0 111.362 -172.263 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.88 61.82 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.358 169.771 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.76 -30.2 65.32 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.673 -2.011 . . . . 0.0 113.413 168.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.51 -42.11 83.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.035 172.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.05 -50.39 13.19 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.917 -168.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.7 p -95.31 -28.76 14.83 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 125.59 1.807 . . . . 0.0 112.775 -171.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.261 56.4 mttp 92.58 57.46 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 112.13 -2.304 . . . . 0.0 109.976 169.007 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -76.12 123.62 26.12 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 109.738 -3.392 . . . . 0.0 111.214 -172.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.62 -17.65 50.63 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 125.663 1.852 . . . . 0.0 110.111 170.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 134' ' ' LEU . 2.7 pt? -140.46 144.74 36.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.144 1.45 . . . . 0.0 111.623 173.181 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.513 ' HB ' HD22 ' A' ' 88' ' ' LEU . 18.9 mt -126.74 122.11 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 110.745 -2.934 . . . . 0.0 107.317 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.1 t -109.18 141.29 41.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.915 -2.402 . . . . 0.0 108.377 178.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -117.41 121.88 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 110.925 -2.852 . . . . 0.0 105.352 173.435 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.24 128.72 44.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 112.083 -2.326 . . . . 0.0 106.363 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -124.17 138.37 54.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 113.1 -1.864 . . . . 0.0 108.966 -162.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 111.849 -2.432 . . . . 0.0 110.616 -168.234 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 CA-C-O 122.843 1.246 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -80.7 -27.73 36.91 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 111.035 -2.583 . . . . 0.0 114.645 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.75 -35.16 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 O-C-N 124.952 1.407 . . . . 0.0 110.005 172.153 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -77.03 -29.94 55.5 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.281 -1.782 . . . . 0.0 111.118 175.301 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 60' ' ' VAL . 35.8 t -70.58 -25.63 63.15 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.567 1.167 . . . . 0.0 114.041 -174.117 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -50.01 117.62 2.43 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.248 0.967 . . . . 0.0 112.315 -170.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.55 32.77 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 113.003 -1.908 . . . . 0.0 112.209 -176.396 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 -25.8 56.95 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.807 0.945 . . . . 0.0 110.113 152.894 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.02 88.52 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 117.896 -1.521 . . . . 0.0 108.846 172.153 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 28.3 tt0 -77.72 -26.31 49.97 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 176.254 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.353 30.4 mmtp -76.61 -29.49 56.54 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 125.176 1.547 . . . . 0.0 113.402 166.511 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.4 t -77.38 -32.34 54.85 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 125.069 1.481 . . . . 0.0 111.877 174.561 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.98 -34.14 51.03 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 110.852 -2.885 . . . . 0.0 111.06 173.796 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 31.7 mt-10 -73.29 -29.79 62.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 111.681 -2.509 . . . . 0.0 112.744 174.922 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.84 1.54 10.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.442 -1.708 . . . . 0.0 112.478 -177.111 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.95 38.29 36.2 Favored Glycine 0 C--N 1.354 1.529 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.49 34.55 1.65 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 111.596 -2.302 . . . . 0.0 109.091 -169.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 121.63 24.34 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.108 177.681 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.47 -28.53 1.49 Allowed Glycine 0 C--N 1.351 1.375 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -170.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.0 125.8 22.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 111.796 -2.202 . . . . 0.0 110.984 170.688 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.91 138.6 31.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 109.773 -3.376 . . . . 0.0 108.277 164.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -114.04 137.15 52.1 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 123.462 1.601 . . . . 0.0 112.015 -174.528 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -107.9 146.8 31.86 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 110.442 -3.072 . . . . 0.0 108.419 173.059 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.28 123.77 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 111.497 -2.592 . . . . 0.0 106.218 175.84 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.77 149.43 20.61 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 125.022 1.451 . . . . 0.0 112.914 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.7 -143.8 15.8 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-N 111.913 -2.143 . . . . 0.0 111.613 166.464 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -81.03 81.24 7.33 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 112.697 -1.751 . . . . 0.0 108.086 173.454 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.9 pt -78.13 -50.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 110.953 -2.84 . . . . 0.0 110.359 -170.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.551 0.99 0 CA-C-N 111.281 -2.69 . . . . 0.0 109.162 173.277 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.463 1.3 m-90 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 120.247 3.425 . . . . 0.0 120.247 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.89 -28.27 30.74 Favored 'Trans proline' 0 C--N 1.363 1.31 0 N-CA-C 116.097 1.537 . . . . 0.0 116.097 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.06 -42.52 23.55 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.55 175.405 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.71 -54.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.947 -174.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.61 -27.96 61.56 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.842 -1.526 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -60.56 -39.85 89.48 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.61 -1.236 . . . . 0.0 111.816 169.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -73.31 -53.15 11.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.561 -173.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -74.3 -43.77 55.42 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.137 -169.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.42 -28.71 66.37 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.918 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.73 71.57 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.192 0.933 . . . . 0.0 112.005 174.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.32 -62.48 1.51 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.13 167.52 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 148.39 37.93 0.04 OUTLIER Glycine 0 C--N 1.351 1.361 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.8 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -81.18 146.08 30.68 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.838 -1.181 . . . . 0.0 108.418 169.02 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.51 -72.71 0.18 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.129 -1.85 . . . . 0.0 110.812 -178.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -145.1 156.2 43.76 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 124.293 0.996 . . . . 0.0 111.305 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.67 115.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.082 -177.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -86.48 139.0 33.68 Favored Pre-proline 0 C--N 1.357 0.928 0 O-C-N 124.559 1.162 . . . . 0.0 110.801 167.613 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -61.89 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.062 1.841 . . . . 0.0 114.729 173.063 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.25 121.78 4.95 Favored 'Trans proline' 0 C--N 1.362 1.251 0 C-N-CA 121.445 1.43 . . . . 0.0 110.744 166.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.91 53.35 2.56 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 113.021 -1.899 . . . . 0.0 111.307 178.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.03 137.46 40.28 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 112.634 -1.783 . . . . 0.0 109.217 178.785 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.98 160.03 0.7 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.802 163.015 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.16 -18.61 8.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.064 1.176 . . . . 0.0 113.07 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.507 -169.573 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.2 m -67.57 -37.12 82.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 113.622 -1.626 . . . . 0.0 112.857 176.69 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 m -79.67 -32.14 41.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 126.855 2.597 . . . . 0.0 108.721 -173.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 71.1 mt -75.21 -39.19 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.364 178.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.94 63.99 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.443 174.055 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 125' ' ' THR . 29.6 t0 -59.2 -55.36 35.96 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 113.069 -1.878 . . . . 0.0 112.276 170.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.7 ptp -70.66 -28.81 65.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.897 0.748 . . . . 0.0 112.119 -174.53 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -65.37 -56.46 12.46 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.766 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.34 -43.5 83.47 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.776 -1.556 . . . . 0.0 114.165 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.66 -47.15 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 113.763 -1.562 . . . . 0.0 112.079 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 57' ' ' LEU . 33.6 mt -93.41 11.43 28.41 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.58 1.175 . . . . 0.0 112.329 -168.592 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.29 65.8 2.34 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.223 0.952 . . . . 0.0 111.65 176.084 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -149.27 155.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.408 -174.541 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 CA--C 1.542 0.662 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.145 178.061 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.5 mttt . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 123.667 1.698 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -111.94 110.02 20.12 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 108.898 -3.774 . . . . 0.0 106.414 159.828 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 53' ' ' THR . 93.6 m -96.26 115.69 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.178 -2.283 . . . . 0.0 107.526 -176.464 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.03 137.76 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.307 0 CA-C-N 112.177 -2.283 . . . . 0.0 106.355 171.824 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 0.9 OUTLIER -130.17 126.45 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.786 1 CA-C-N 108.185 -4.098 . . . . 0.0 104.023 -164.776 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.67 129.46 38.83 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 117.299 -1.76 . . . . 0.0 111.084 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.45 145.27 16.01 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.564 165.032 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -97.82 120.64 47.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 170.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -96.79 143.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-N 112.848 -1.978 . . . . 0.0 108.723 -166.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.949 0 CA-C-N 111.476 -2.602 . . . . 0.0 109.284 -174.625 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 122.117 0.96 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.3 p -152.74 -54.87 0.12 Allowed 'General case' 0 C--N 1.349 0.546 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.504 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.71 -48.13 64.64 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 112.099 -2.319 . . . . 0.0 109.339 177.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -75.74 -34.39 60.31 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.054 -2.339 . . . . 0.0 109.928 -174.096 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -80.93 20.45 0.78 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 110.855 -2.884 . . . . 0.0 111.953 168.735 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.64 23.37 8.83 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 163.604 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.73 38.89 93.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 112.521 -2.127 . . . . 0.0 112.885 177.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.19 155.8 17.55 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.08 173.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -78.91 104.84 9.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.934 -2.394 . . . . 0.0 104.992 161.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.57 108.8 22.36 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.555 -173.236 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.53 111.47 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 110.667 -2.969 . . . . 0.0 107.235 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.75 107.18 17.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 111.976 -2.375 . . . . 0.0 106.409 177.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.87 -24.6 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.248 178.473 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.42 -124.55 7.48 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 112.118 -2.31 . . . . 0.0 109.022 170.578 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 m -97.06 170.31 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 111.53 -2.335 . . . . 0.0 110.421 -171.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -17.61 130.24 0.01 OUTLIER 'General case' 0 C--N 1.347 0.478 0 CA-C-N 110.02 -3.264 . . . . 0.0 115.1 164.023 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 -62.19 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 110.79 -2.914 . . . . 0.0 106.601 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p 138.04 167.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.905 0 O-C-N 126.582 2.426 . . . . 0.0 108.089 -177.461 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -47.72 -50.24 25.75 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.093 -2.321 . . . . 0.0 112.861 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.71 -20.74 65.19 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 124.324 1.015 . . . . 0.0 113.471 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.29 -29.6 20.26 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 124.171 0.92 . . . . 0.0 111.395 177.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.34 -39.16 54.71 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 123.247 1.499 . . . . 0.0 111.607 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -49.75 -38.48 13.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 109.857 -3.338 . . . . 0.0 111.859 159.159 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.88 -28.81 67.84 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.319 1.012 . . . . 0.0 111.697 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.74 -28.9 62.92 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.009 0.818 . . . . 0.0 110.613 167.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.15 67.52 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 116.297 -2.161 . . . . 0.0 113.76 167.746 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.84 -38.93 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.759 174.668 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -77.02 -50.39 13.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.01 -1.45 . . . . 0.0 112.022 -169.763 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HB ' HG21 ' A' ' 5' ' ' THR . 16.5 p -96.78 -29.27 13.85 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 125.525 1.766 . . . . 0.0 114.001 -173.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 86.53 75.63 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 O-C-N 125.853 1.971 . . . . 0.0 109.392 176.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -65.09 146.99 54.27 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 110.066 -3.243 . . . . 0.0 111.025 -175.925 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -33.6 15.87 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.552 154.639 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 6' ' ' ILE 0.274 2.7 pt? -140.57 144.74 36.02 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 123.152 1.454 . . . . 0.0 112.258 -176.557 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.497 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.5 mt -126.29 132.8 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 110.472 -3.058 . . . . 0.0 107.78 -179.579 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 m -114.93 140.72 48.78 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.078 -176.428 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.57 121.85 46.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 110.543 -3.026 . . . . 0.0 105.929 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.08 113.0 23.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.83 -171.337 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -111.34 122.58 48.22 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.018 -170.102 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.542 0.659 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.956 -175.52 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 CA-C-O 121.421 0.456 . . . . 0.0 112.821 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.38 -27.93 60.88 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.269 -1.465 . . . . 0.0 111.509 176.675 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -85.48 -44.08 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 113.164 -1.835 . . . . 0.0 109.87 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.06 -29.93 55.33 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.177 -1.828 . . . . 0.0 112.77 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' CB ' HG21 ' A' ' 90' ' ' VAL . 16.3 p -78.11 -39.04 42.55 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.364 1.04 . . . . 0.0 110.883 175.178 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.61 125.07 23.08 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.892 -1.504 . . . . 0.0 111.664 -172.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.11 11.76 72.24 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 112.321 -2.218 . . . . 0.0 112.638 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 32.0 tp -75.55 -30.23 59.65 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.463 0.743 . . . . 0.0 110.139 154.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -51.63 -54.26 29.81 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.502 1.126 . . . . 0.0 110.548 166.831 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.406 26.8 tt0 -77.47 -26.13 51.12 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 28.3 mmtp -76.24 -29.38 57.5 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.924 1.39 . . . . 0.0 113.5 169.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 74' ' ' LEU . 78.8 m -77.31 -34.65 55.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 123.332 1.539 . . . . 0.0 111.538 172.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.18 -44.21 84.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 110.094 -3.23 . . . . 0.0 109.871 171.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.278 32.7 mt-10 -73.28 -29.66 62.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 109.747 -3.388 . . . . 0.0 112.76 -176.355 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.76 0.33 13.38 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.468 -177.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 34.06 48.71 Favored Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -178.017 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.2 mt -135.95 44.91 2.43 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.865 -2.168 . . . . 0.0 108.696 -171.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 123.14 31.72 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.647 -2.069 . . . . 0.0 109.442 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.87 -31.17 2.22 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 107.309 -2.316 . . . . 0.0 107.309 -173.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.4 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.2 mp -64.83 124.84 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.407 -2.397 . . . . 0.0 110.851 169.25 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.1 143.73 26.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 108.84 -3.8 . . . . 0.0 108.19 169.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.497 HD22 ' HB ' ' A' ' 58' ' ' ILE . 36.4 mt -121.23 130.64 53.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.778 -169.883 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.86 137.01 46.61 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 110.546 -3.025 . . . . 0.0 107.308 175.336 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG21 ' CB ' ' A' ' 71' ' ' CYS . 7.5 p -136.18 123.91 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 112.658 -2.065 . . . . 0.0 107.78 176.687 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.34 152.05 21.77 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.815 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.99 -153.88 25.59 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 111.543 -2.328 . . . . 0.0 108.869 -178.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -97.04 60.69 1.72 Allowed 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.137 -1.531 . . . . 0.0 108.529 171.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.619 ' H ' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -80.25 152.35 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 112.08 -2.327 . . . . 0.0 106.934 -175.577 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.263 0.3 OUTLIER . . . . . 0 N--CA 1.439 -1.01 0 CA-C-N 112.41 -2.177 . . . . 0.0 111.168 -172.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.363 1.9 m-90 . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 120.522 3.527 . . . . 0.0 120.522 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -82.09 -52.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.975 0 CA-C-N 122.203 1.823 . . . . 0.0 111.311 164.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.16 -29.8 38.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.466 -2.152 . . . . 0.0 111.459 -173.118 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.18 -46.55 83.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.796 -174.639 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -73.55 -28.0 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.328 -1.305 . . . . 0.0 111.075 178.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.66 -43.15 97.99 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.33 176.048 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -75.49 -53.11 9.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.773 -175.158 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.93 -49.62 69.68 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.46 -169.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -69.29 -28.59 66.42 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.131 -2.304 . . . . 0.0 112.538 -178.398 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.0 69.11 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.038 0.836 . . . . 0.0 112.471 172.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.58 -45.02 84.86 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.314 1.009 . . . . 0.0 109.926 169.714 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.35 1.03 1.11 Allowed Glycine 0 CA--C 1.537 1.415 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.252 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 146.04 15.28 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.185 0.993 . . . . 0.0 111.604 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.3 -61.29 2.05 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 112.141 -2.299 . . . . 0.0 109.601 -174.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -145.07 150.16 36.34 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.161 -175.163 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.12 122.9 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.812 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -92.27 116.77 67.07 Favored Pre-proline 0 C--N 1.357 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 169.53 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -56.58 170.4 1.33 Allowed 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 120.856 1.037 . . . . 0.0 113.941 168.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -73.05 118.92 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 120.667 0.911 . . . . 0.0 111.068 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 105.13 26.21 6.4 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 112.84 -1.982 . . . . 0.0 112.393 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -89.01 137.06 32.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 122.316 1.055 . . . . 0.0 108.873 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 p -60.77 167.08 3.73 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 111.812 -2.449 . . . . 0.0 109.9 170.168 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.13 -13.2 9.1 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 120.597 0.864 . . . . 0.0 113.099 167.178 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.95 -29.85 69.82 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 121.6 0.714 . . . . 0.0 111.628 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -70.14 -36.65 74.93 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.036 -1.893 . . . . 0.0 112.211 175.818 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.5 m -79.57 -31.03 41.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 127.481 2.988 . . . . 0.0 109.478 -172.184 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.12 -42.0 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.775 178.151 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 112.532 -2.122 . . . . 0.0 109.715 176.223 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 125' ' ' THR . 19.2 t0 -60.02 -55.25 36.33 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.757 -2.02 . . . . 0.0 112.7 171.406 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.4 ptp -69.28 -28.93 66.72 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.003 0.814 . . . . 0.0 111.977 -172.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -70.93 -57.09 4.92 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.661 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.18 -33.49 65.32 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.1 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.67 -46.5 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.434 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.0 mt -97.33 40.31 1.16 Allowed 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.257 0.973 . . . . 0.0 112.021 -167.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.28 43.77 37.35 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 114.326 -1.307 . . . . 0.0 112.744 171.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.33 -160.56 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -178.479 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.671 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.381 171.559 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.67 109.72 21.62 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.216 -1.811 . . . . 0.0 107.44 171.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 53' ' ' THR . 29.7 m -96.32 134.76 39.04 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.346 171.418 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.516 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -110.15 122.64 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.009 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 164.811 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.5 t -101.38 124.91 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 CA-C-N 108.826 -3.806 . . . . 0.0 102.654 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -132.32 129.08 39.02 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 117.956 -1.498 . . . . 0.0 109.089 173.635 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.85 145.4 15.96 Favored Glycine 0 C--N 1.357 1.72 0 CA-C-N 111.859 -2.428 . . . . 0.0 109.523 175.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.91 119.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.142 0 C-N-CA 114.226 -2.99 . . . . 0.0 106.128 178.567 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 142.04 16.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 O-C-N 125.569 1.793 . . . . 0.0 110.173 -163.728 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.975 0 CA-C-N 109.953 -3.294 . . . . 0.0 109.95 178.192 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -61.41 -44.57 96.91 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.254 -1.794 . . . . 0.0 112.712 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.23 -36.03 66.37 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.088 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.25 -32.47 73.51 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.326 -1.761 . . . . 0.0 110.647 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -103.48 22.29 14.52 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.712 -2.04 . . . . 0.0 110.94 176.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.02 2.06 53.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.147 166.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.63 26.12 66.02 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.229 -173.313 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -97.75 157.0 16.31 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 118.169 -1.412 . . . . 0.0 107.76 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.77 115.9 17.88 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 103.455 -2.794 . . . . 0.0 103.455 160.71 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.18 108.75 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 109.17 -177.082 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.71 110.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 111.392 -2.64 . . . . 0.0 107.826 178.034 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -86.98 98.02 11.03 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.107 173.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -73.55 -41.73 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 112.462 -2.153 . . . . 0.0 107.736 167.256 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 -21.73 25.66 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 112.24 -2.255 . . . . 0.0 115.27 151.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.29 170.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -159.109 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 14.8 mt -39.96 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.732 4.413 . . . . 0.0 115.009 -172.362 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 p -65.96 101.53 0.68 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -178.83 65.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.757 0 CA-C-N 112.404 -2.18 . . . . 0.0 109.465 -171.439 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.28 -28.95 69.55 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 112.541 -2.118 . . . . 0.0 112.2 170.117 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.35 -28.5 69.74 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.177 1.548 . . . . 0.0 111.179 176.201 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -87.01 -26.68 23.63 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.734 -1.576 . . . . 0.0 111.18 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.39 -39.55 53.37 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-O 123.516 1.627 . . . . 0.0 111.857 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -49.84 -40.3 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.588 -3.46 . . . . 0.0 111.409 161.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -72.38 -28.82 63.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 124.608 1.192 . . . . 0.0 111.688 -174.288 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.852 ' O ' HG22 ' A' ' 53' ' ' THR . . . -72.28 -28.6 63.21 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.483 167.672 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.52 60.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.398 1.062 . . . . 0.0 112.919 170.612 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.69 -36.58 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 171.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.62 -50.87 26.76 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.277 -171.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 5' ' ' THR . 1.1 t -91.07 -39.61 12.08 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 110.793 -2.912 . . . . 0.0 112.351 -168.452 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 85.89 77.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.661 0 CA-C-N 111.449 -2.614 . . . . 0.0 109.464 -164.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.84 58.23 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.504 -178.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -30.03 17.71 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.187 -1.37 . . . . 0.0 110.002 156.275 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 6' ' ' ILE 0.324 2.6 pt? -140.45 145.03 36.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 122.95 1.357 . . . . 0.0 112.963 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 46.0 mt -122.89 125.1 71.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 110.74 -2.936 . . . . 0.0 107.548 177.37 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.32 137.19 52.31 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 111.591 -2.549 . . . . 0.0 110.316 -175.293 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.47 121.82 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 110.457 -3.065 . . . . 0.0 106.526 178.318 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t -115.01 112.73 23.11 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.725 1.266 . . . . 0.0 108.361 -174.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -109.31 135.23 50.72 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.116 -155.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.355 0.845 0 CA-C-N 113.457 -1.702 . . . . 0.0 111.043 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CB ' HH22 ' A' ' 107' ' ' ARG . 13.4 pt-20 -79.1 -30.49 43.86 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.418 -0.891 . . . . 0.0 110.813 174.459 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.68 -44.27 79.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 112.8 -2.0 . . . . 0.0 110.687 -170.635 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -77.3 -56.66 4.36 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 117.063 -1.855 . . . . 0.0 110.807 172.062 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.4 m -71.59 -38.8 70.83 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.736 -1.574 . . . . 0.0 112.745 -150.405 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.66 117.44 8.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.34 1.067 . . . . 0.0 111.496 -173.337 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.541 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 103.02 20.69 10.95 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 111.688 -2.505 . . . . 0.0 111.714 -176.018 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.53 -26.97 58.5 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.59 0.817 . . . . 0.0 111.199 161.298 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . 17.9 tpp180 -56.49 -54.36 46.71 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.562 168.844 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.376 24.5 mp0 -77.08 -26.07 53.03 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 116.993 2.219 . . . . 0.0 116.993 -177.919 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -76.26 -29.26 57.39 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 125.654 1.846 . . . . 0.0 113.166 169.19 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.13 -33.81 56.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 123.19 1.472 . . . . 0.0 111.356 174.105 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.77 -34.79 67.2 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 110.552 -3.022 . . . . 0.0 110.437 173.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.323 2.0 pt-20 -73.13 -29.92 63.24 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.724 -2.489 . . . . 0.0 112.205 177.251 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.65 1.5 10.07 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.109 -2.314 . . . . 0.0 112.497 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.76 46.23 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.4 mt -140.71 43.48 1.84 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.802 -2.199 . . . . 0.0 108.831 -171.132 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 112.09 18.29 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 113.318 -1.764 . . . . 0.0 109.089 170.064 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.01 -29.3 0.59 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.798 -2.455 . . . . 0.0 108.453 -170.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.92 127.54 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 111.582 -2.309 . . . . 0.0 109.857 165.745 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -87.78 146.06 25.81 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 110.912 -2.858 . . . . 0.0 107.671 161.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.1 mt -125.25 133.8 52.55 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 122.545 1.164 . . . . 0.0 112.015 -170.717 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -107.94 129.95 55.07 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.223 -2.717 . . . . 0.0 107.787 169.828 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.0 123.94 71.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.716 167.046 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.58 152.33 20.64 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 112.128 -2.305 . . . . 0.0 108.45 -171.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.22 -144.92 16.99 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 177.866 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -79.92 -34.8 38.65 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.666 -1.767 . . . . 0.0 110.302 173.121 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.467 HD11 ' CH2' ' A' ' 101' ' ' TRP 0.266 2.7 pp 46.23 39.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.524 178.961 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 94' ' ' ILE 0.261 12.4 p . . . . . 0 N--CA 1.441 -0.882 0 CA-C-N 111.502 -2.59 . . . . 0.0 108.038 173.655 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.467 ' CH2' HD11 ' A' ' 94' ' ' ILE 0.49 1.2 m-90 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 119.438 3.125 . . . . 0.0 119.438 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.05 -43.99 29.16 Favored 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 115.66 1.369 . . . . 0.0 115.66 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -80.19 -40.35 27.39 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.976 178.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.73 -51.76 42.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.232 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.0 -34.11 74.3 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 124.882 1.364 . . . . 0.0 112.47 174.698 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.55 -37.18 80.4 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.522 175.427 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.459 HH22 ' CB ' ' A' ' 68' ' ' GLU . 57.4 ttp85 -78.11 -42.36 32.22 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.392 1.057 . . . . 0.0 112.175 -176.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.74 -53.94 19.0 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.46 -175.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -70.74 -32.05 69.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.68 -175.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.0 62.96 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.308 1.005 . . . . 0.0 112.096 -179.17 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.541 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.55 -33.53 75.24 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 118.937 -1.105 . . . . 0.0 110.184 175.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.13 -39.21 0.11 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 118.669 -1.729 . . . . 0.0 113.156 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.58 146.09 37.12 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.496 1.141 . . . . 0.0 112.391 -166.19 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.94 -49.26 20.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.267 -2.242 . . . . 0.0 109.821 178.62 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -145.06 148.83 34.11 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.818 -165.096 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -123.31 114.01 40.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.896 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -89.88 116.77 67.16 Favored Pre-proline 0 C--N 1.36 1.048 0 O-C-N 124.263 0.977 . . . . 0.0 110.547 168.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -57.57 177.46 0.22 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 N-CA-C 116.462 1.678 . . . . 0.0 116.462 169.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.57 120.29 7.95 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.614 1.542 . . . . 0.0 113.661 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.06 44.21 37.0 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.448 -1.705 . . . . 0.0 112.989 173.275 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -81.37 137.2 35.74 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.619 -1.29 . . . . 0.0 108.648 172.696 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 p -55.04 160.21 3.27 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 112.165 -2.289 . . . . 0.0 109.994 170.38 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.11 -11.97 9.64 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 O-C-N 122.85 0.921 . . . . 0.0 113.45 171.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -69.75 -29.92 67.38 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.056 0.847 . . . . 0.0 110.468 -176.341 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.95 -37.4 75.82 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.948 174.829 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.9 m -79.57 -33.06 42.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.521 2.388 . . . . 0.0 109.158 -169.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 66.4 mt -75.12 -42.25 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 126.386 2.304 . . . . 0.0 109.885 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.22 -30.93 63.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.084 -1.871 . . . . 0.0 110.625 175.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 125' ' ' THR . 67.3 t0 -65.45 -48.54 72.36 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 112.75 -2.023 . . . . 0.0 112.651 171.869 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.6 ptp -68.52 -28.94 67.44 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.731 0.696 . . . . 0.0 112.472 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -68.17 -57.1 6.58 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.561 177.104 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.08 -37.71 77.74 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.514 -177.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.68 -47.05 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.833 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.3 mt -89.62 3.23 53.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 124.326 1.016 . . . . 0.0 111.987 -167.443 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.28 61.16 1.41 Allowed Glycine 0 C--N 1.354 1.561 0 O-C-N 124.214 0.946 . . . . 0.0 110.925 175.517 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.98 157.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 112.227 -1.986 . . . . 0.0 107.292 -175.026 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.95 175.785 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttm . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 123.28 1.514 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.88 135.09 54.58 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 109.597 -3.456 . . . . 0.0 108.207 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.641 HG22 ' HB2' ' A' ' 55' ' ' ALA . 13.4 m -101.94 123.35 45.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.373 -2.649 . . . . 0.0 107.928 -178.388 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -122.01 147.21 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 129.896 3.278 . . . . 0.0 104.243 170.883 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 35' ' ' VAL 0.282 2.3 t -130.14 130.98 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 108.719 -3.855 . . . . 0.0 103.524 -174.362 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.33 129.15 39.11 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 116.859 -1.936 . . . . 0.0 109.761 166.801 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.89 145.83 16.11 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 111.18 -2.736 . . . . 0.0 109.293 174.359 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.85 120.48 47.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.051 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 tt -109.22 136.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 125.24 1.588 . . . . 0.0 109.52 -168.131 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.316 0 CA-C-N 112.798 -2.001 . . . . 0.0 109.104 -175.671 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' N ' ' HG1' ' A' ' 28' ' ' THR . 30.2 t60 . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 122.911 1.339 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -124.62 -47.95 1.82 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 111.041 -2.8 . . . . 0.0 106.496 162.114 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -74.49 -43.26 56.83 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 112.351 -2.204 . . . . 0.0 109.004 175.367 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.86 -37.07 86.02 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 112.799 -2.001 . . . . 0.0 110.296 174.096 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -89.28 19.05 4.6 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.08 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.53 4.5 52.0 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.159 176.233 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.93 74.38 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.246 -171.339 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -100.45 153.14 19.6 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -78.86 104.79 9.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 165.58 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.4 t -127.07 113.68 33.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.88 -173.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.95 110.95 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 110.899 -2.864 . . . . 0.0 107.551 165.653 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -85.88 97.96 10.51 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.989 -1.914 . . . . 0.0 107.131 171.7 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -22.53 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.58 176.429 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.17 -87.24 1.03 Allowed Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.217 -1.81 . . . . 0.0 112.289 151.757 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.14 170.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 112.482 -1.859 . . . . 0.0 110.217 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.95 144.7 4.46 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.581 -3.009 . . . . 0.0 112.666 -175.852 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -157.29 -79.33 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 111.255 -2.702 . . . . 0.0 108.471 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t 170.03 155.09 0.05 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.877 1.36 . . . . 0.0 108.112 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 88.6 mt-30 -48.01 -55.02 11.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.654 -1.165 . . . . 0.0 111.712 170.82 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.27 -16.44 45.54 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.935 1.397 . . . . 0.0 112.76 -176.199 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.34 -31.8 15.94 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.188 -177.929 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -40.45 49.88 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 123.618 1.675 . . . . 0.0 111.669 176.523 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.9 mt -49.85 -37.12 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 109.513 -3.494 . . . . 0.0 112.247 158.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.29 -28.81 67.51 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.195 -179.024 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.43 77.42 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.316 1.01 . . . . 0.0 109.824 163.399 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -30.29 66.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 176.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.64 -37.29 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.644 174.859 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.21 -50.26 28.93 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.003 -172.422 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.632 ' HB ' HG21 ' A' ' 5' ' ' THR . 18.9 p -105.09 -25.73 12.4 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 113.471 -1.695 . . . . 0.0 112.946 -169.72 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 88.03 62.01 0.01 OUTLIER 'General case' 0 C--N 1.346 0.417 0 O-C-N 125.748 1.905 . . . . 0.0 109.975 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -85.37 122.43 29.51 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.639 -174.528 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.44 -14.81 48.24 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 126.118 2.136 . . . . 0.0 109.281 172.759 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.45 144.34 44.35 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 124.383 2.04 . . . . 0.0 112.17 167.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.538 ' HB ' HD22 ' A' ' 88' ' ' LEU . 15.6 mt -132.14 120.7 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 1 CA-C-N 108.32 -4.037 . . . . 0.0 108.112 -177.541 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.01 140.89 36.69 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.688 175.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.22 121.45 37.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 111.303 -2.68 . . . . 0.0 105.382 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.44 113.18 23.38 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 113.511 -1.677 . . . . 0.0 108.747 -173.171 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.84 126.23 47.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.353 0.741 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.678 -175.149 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 CA-C-O 120.096 -0.28 . . . . 0.0 113.569 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.2 -31.24 71.49 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 117.271 -1.772 . . . . 0.0 110.342 176.167 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -91.21 -44.49 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.202 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -77.53 -56.21 4.72 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.463 -172.645 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.09 -37.3 46.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.045 -2.343 . . . . 0.0 111.373 -163.064 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.52 116.82 5.02 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.108 -168.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.33 32.55 31.0 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 112.616 -2.084 . . . . 0.0 112.104 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.76 -27.83 58.21 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 125.006 1.062 . . . . 0.0 112.663 162.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 64.9 ttp85 -73.23 -37.42 66.39 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 116.585 -2.046 . . . . 0.0 109.262 175.526 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.438 15.1 tp10 -77.57 -26.21 50.64 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.263 1.1 tpmt? -76.2 -29.43 57.62 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 125.255 1.597 . . . . 0.0 112.019 167.459 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.812 ' SG ' HG22 ' A' ' 86' ' ' ILE . 14.5 p -77.13 -43.01 35.64 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 123.485 1.612 . . . . 0.0 110.083 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.07 -37.57 87.91 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 109.476 -3.511 . . . . 0.0 108.469 176.674 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 29.1 mm-40 -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 112.354 -2.203 . . . . 0.0 113.485 175.803 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -0.11 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.92 -177.395 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.68 37.85 18.58 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 120.06 -1.067 . . . . 0.0 110.963 -177.366 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.12 -165.32 1.3 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.039 -2.081 . . . . 0.0 105.846 171.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 86' ' ' ILE 0.326 61.6 mmtt -70.83 -173.42 0.78 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.445 -2.161 . . . . 0.0 114.243 -175.654 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.21 49.98 1.49 Allowed Glycine 0 C--N 1.345 1.045 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 158.727 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.812 HG22 ' SG ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -63.74 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.732 -3.734 . . . . 0.0 106.925 -167.187 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -87.47 117.03 25.99 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 109.768 -3.378 . . . . 0.0 108.226 -159.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.544 HD21 ' CG2' ' A' ' 86' ' ' ILE . 21.6 mt -110.65 140.34 45.09 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 113.424 -1.716 . . . . 0.0 110.952 -163.591 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -107.67 145.34 33.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 110.565 -3.016 . . . . 0.0 107.103 172.058 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.25 123.96 34.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 114.235 -1.348 . . . . 0.0 108.157 170.885 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.19 152.17 17.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.334 -164.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.84 -134.91 13.85 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-N 110.817 -2.692 . . . . 0.0 110.406 174.571 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -74.97 145.71 42.3 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.756 -1.722 . . . . 0.0 107.179 164.616 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt -147.88 -36.16 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.543 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.352 0.694 0 CA-C-O 123.62 1.676 . . . . 0.0 108.922 -176.323 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.5 1.5 m-90 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 119.572 3.175 . . . . 0.0 119.572 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.88 -50.56 11.5 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.41 1.182 . . . . 0.0 115.165 169.46 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.06 -35.64 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 113.475 -1.693 . . . . 0.0 112.681 177.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.73 -43.88 76.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.82 -173.359 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -71.91 -28.24 63.36 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.088 177.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -58.57 -42.81 88.79 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.978 172.732 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -72.91 -50.12 25.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.965 -177.014 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -71.21 -46.43 61.22 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.857 -1.519 . . . . 0.0 111.59 -170.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -75.47 -28.83 59.4 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.016 -1.902 . . . . 0.0 112.235 -175.284 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.14 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.485 1.116 . . . . 0.0 111.169 175.595 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -43.86 96.09 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.925 174.141 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.468 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 163.8 -11.46 0.09 OUTLIER Glycine 0 C--N 1.355 1.621 0 C-N-CA 118.72 -1.705 . . . . 0.0 114.217 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.24 135.14 51.53 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 122.59 1.186 . . . . 0.0 111.182 -176.482 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.7 -56.97 6.41 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 111.768 -2.469 . . . . 0.0 109.848 -177.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.2 156.01 43.6 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.787 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.22 139.0 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 112.557 -2.11 . . . . 0.0 110.021 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -106.58 126.14 31.09 Favored Pre-proline 0 C--N 1.359 1.004 0 O-C-N 124.867 1.354 . . . . 0.0 109.845 164.005 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.96 177.06 0.75 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 121.352 1.368 . . . . 0.0 114.067 167.547 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.97 119.05 4.95 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.006 1.138 . . . . 0.0 110.971 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.01 41.35 3.08 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.892 178.375 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 137.13 40.78 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.588 -1.306 . . . . 0.0 109.436 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -59.97 160.16 17.22 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.222 170.009 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.16 -13.39 8.96 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 120.898 1.066 . . . . 0.0 114.773 170.087 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.82 -29.67 70.64 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.543 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.446 -1.707 . . . . 0.0 113.006 176.6 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 m -79.59 -34.49 40.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 127.244 2.84 . . . . 0.0 109.74 -171.68 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.18 -40.24 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 111.373 -2.648 . . . . 0.0 109.921 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.87 63.82 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.095 -1.866 . . . . 0.0 110.047 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 5.9 t0 -56.79 -55.41 34.69 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 112.492 -2.14 . . . . 0.0 112.383 171.37 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -71.92 -33.86 68.61 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.336 1.022 . . . . 0.0 111.825 -173.251 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.39 -57.13 14.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.309 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.22 -30.96 70.15 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.937 -176.308 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.18 -39.0 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.166 177.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.8 -5.63 59.05 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.801 1.313 . . . . 0.0 110.403 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.94 59.34 10.31 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.001 172.39 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.48 135.91 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 111.962 -2.119 . . . . 0.0 109.815 -170.828 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.351 0.633 0 CA-C-N 112.872 -1.967 . . . . 0.0 109.053 -175.8 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -112.68 109.64 19.29 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.869 1.356 . . . . 0.0 109.288 176.06 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -89.45 115.93 27.25 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 110.42 -3.082 . . . . 0.0 106.917 175.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -105.92 149.23 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.905 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 165.454 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.576 HG13 HG21 ' A' ' 37' ' ' ILE 0.29 0.9 OUTLIER -130.29 130.76 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.659 -3.882 . . . . 0.0 103.498 -173.465 . . . . . . . . 4 4 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.55 128.99 38.44 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.162 166.551 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.7 145.93 16.18 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 111.732 -2.486 . . . . 0.0 109.032 173.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.47 120.74 47.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 118.231 -1.388 . . . . 0.0 107.787 175.184 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.53 144.14 18.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.079 -2.328 . . . . 0.0 110.99 -167.739 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.926 0 CA-C-N 110.48 -3.054 . . . . 0.0 112.243 160.679 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.674 0.75 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.0 p -135.73 -51.93 0.74 Allowed 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.303 172.386 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -74.9 -47.81 28.0 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.958 -174.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -32.34 73.36 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.649 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -80.21 9.43 5.68 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.242 176.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 1.9 11.67 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 172.772 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.0 32.14 76.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 113.581 -1.645 . . . . 0.0 111.544 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 161.19 28.02 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 116.373 -2.131 . . . . 0.0 107.296 174.229 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -90.41 104.41 17.0 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 114.64 -2.824 . . . . 0.0 104.203 160.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.29 141.14 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 111.179 -2.737 . . . . 0.0 107.936 -169.938 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 114.98 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.392 -163.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -85.8 97.93 10.46 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 173.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -69.56 -28.49 37.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.552 -166.343 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.03 -175.22 18.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.888 177.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -88.2 125.07 41.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 111.176 -2.512 . . . . 0.0 108.887 174.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.68 150.3 2.15 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 112.797 -2.001 . . . . 0.0 109.651 166.421 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -104.67 61.54 0.71 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 112.386 -2.188 . . . . 0.0 107.419 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -160.74 113.34 1.97 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.281 -168.422 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 83.8 mt-30 -47.87 -51.52 22.72 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 112.378 -2.192 . . . . 0.0 112.956 168.256 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -23.6 56.44 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 124.645 1.215 . . . . 0.0 112.956 -171.488 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -79.13 -39.32 33.89 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.233 0.958 . . . . 0.0 111.688 177.095 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -38.13 56.7 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 123.002 1.382 . . . . 0.0 112.241 -176.141 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 1.5 mt -49.85 -39.9 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.916 160.514 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -71.19 -28.87 64.54 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.366 1.041 . . . . 0.0 111.109 -175.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.85 61.66 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 169.262 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.18 67.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 116.409 -2.116 . . . . 0.0 113.386 168.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.76 -42.13 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.839 173.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -77.09 -50.26 13.44 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.919 -1.491 . . . . 0.0 112.989 -169.045 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -99.59 -27.22 13.79 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 125.493 1.746 . . . . 0.0 113.788 -170.205 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 92.65 68.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 126.198 2.186 . . . . 0.0 110.989 167.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.95 133.63 56.24 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 110.933 -2.849 . . . . 0.0 112.081 -173.192 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.2 -34.37 15.84 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 112.812 -1.994 . . . . 0.0 108.831 159.236 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 6' ' ' ILE . 2.7 pt? -140.47 144.95 36.33 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.824 176.696 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 88' ' ' LEU . 79.0 mt -125.67 128.63 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 110.869 -2.878 . . . . 0.0 106.864 179.256 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.62 141.01 47.71 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.146 -177.08 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.02 121.74 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 110.729 -2.942 . . . . 0.0 106.62 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 112.69 25.22 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.292 178.487 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -100.77 116.62 33.1 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.262 -172.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.353 0.744 0 CA-C-N 110.914 -2.857 . . . . 0.0 110.276 -177.907 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.857 0 CA-C-O 122.109 0.838 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -30.41 69.3 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 112.052 -2.074 . . . . 0.0 111.563 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.42 -44.33 41.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.857 -1.52 . . . . 0.0 110.614 -168.797 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -77.19 -31.21 55.23 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.663 -176.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -78.08 -26.43 48.14 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 119.221 -0.992 . . . . 0.0 112.624 -173.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.41 111.7 0.84 Allowed 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.447 1.092 . . . . 0.0 113.073 -162.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.69 37.88 44.42 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.869 175.208 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.66 -25.9 57.2 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 124.783 0.931 . . . . 0.0 112.687 164.821 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 4.4 tmm_? -73.04 -41.66 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 117.213 -1.795 . . . . 0.0 107.363 179.14 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.415 19.6 tt0 -77.27 -25.95 51.95 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 174.474 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.358 13.3 tppt? -76.11 -29.11 57.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 125.264 1.602 . . . . 0.0 113.046 166.172 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.85 -40.44 47.73 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 123.447 1.594 . . . . 0.0 110.705 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.252 3.9 m-20 -72.1 -30.02 64.67 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 110.183 -3.189 . . . . 0.0 111.388 175.792 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.38 -31.24 63.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 112.416 -2.174 . . . . 0.0 112.52 169.604 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 3.13 7.25 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.868 179.036 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.29 19.34 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 124.254 0.972 . . . . 0.0 110.943 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' HB3' HD13 ' A' ' 86' ' ' ILE . 20.0 mt -141.06 70.27 1.35 Allowed 'General case' 0 C--N 1.346 0.446 0 CA-C-N 111.925 -2.138 . . . . 0.0 106.799 -178.461 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 116.85 32.42 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.135 -2.302 . . . . 0.0 109.268 175.406 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.43 -20.47 2.24 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 111.367 -2.651 . . . . 0.0 108.12 -165.051 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -73.98 124.62 31.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 112.472 -1.864 . . . . 0.0 109.05 169.494 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.75 46.27 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.018 165.675 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 58' ' ' ILE . 8.3 mt -112.83 136.67 52.2 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 123.531 1.634 . . . . 0.0 112.63 -168.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.92 136.9 46.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 109.713 -3.403 . . . . 0.0 108.869 164.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.21 123.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 112.666 -2.061 . . . . 0.0 107.685 174.719 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.19 24.05 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.363 -177.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.1 45.01 0.83 Allowed Glycine 0 C--N 1.353 1.478 0 CA-C-N 111.884 -2.158 . . . . 0.0 111.585 172.03 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 69.09 131.01 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 O-C-N 125.444 1.32 . . . . 0.0 109.846 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -137.12 -55.72 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.899 -162.805 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.354 0.765 0 CA-C-O 123.533 1.635 . . . . 0.0 108.55 179.41 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.437 8.2 m-90 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 118.292 2.701 . . . . 0.0 118.292 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.93 -48.22 16.82 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-N 119.87 0.989 . . . . 0.0 114.159 170.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.82 -53.35 13.6 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.148 173.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.65 -59.15 4.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 O-C-N 124.821 1.326 . . . . 0.0 111.218 -167.781 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.12 -27.86 66.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.34 -177.347 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.61 -49.99 75.45 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 117.423 -1.711 . . . . 0.0 111.67 173.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -73.45 -36.89 65.95 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.651 1.22 . . . . 0.0 112.222 -175.067 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.61 -44.94 48.2 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.767 1.292 . . . . 0.0 110.145 -170.696 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -72.86 -28.89 62.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.655 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.15 93.17 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.683 1.239 . . . . 0.0 111.616 175.504 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -80.14 -20.92 43.8 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.518 1.136 . . . . 0.0 111.865 178.649 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.433 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 161.16 -38.65 0.42 Allowed Glycine 0 C--N 1.36 1.862 0 C-N-CA 117.325 -2.369 . . . . 0.0 115.612 171.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -50.99 146.13 6.52 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.651 1.215 . . . . 0.0 113.759 -169.107 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.15 -73.21 0.26 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.038 178.2 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.175 0.922 . . . . 0.0 110.285 178.547 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.8 t -119.82 125.91 74.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.447 -173.181 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.7 119.26 68.53 Favored Pre-proline 0 C--N 1.362 1.116 0 O-C-N 124.412 1.07 . . . . 0.0 111.881 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.3 176.39 0.81 Allowed 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 121.61 1.54 . . . . 0.0 115.428 170.947 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.29 123.48 7.75 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 121.151 1.234 . . . . 0.0 110.975 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.52 26.91 10.29 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 113.05 -1.886 . . . . 0.0 112.235 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -84.5 134.53 34.43 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 114.041 -1.079 . . . . 0.0 108.127 173.117 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -62.06 135.4 94.8 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 113.084 -1.871 . . . . 0.0 107.612 166.403 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 127' ' ' ILE . 22.9 Cg_exo -61.75 -12.27 24.5 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 N-CA-C 114.658 0.984 . . . . 0.0 114.658 174.57 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -70.61 -29.68 66.14 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.652 1.22 . . . . 0.0 111.66 -176.512 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -59.07 -31.9 69.3 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.476 -1.693 . . . . 0.0 113.112 172.624 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.1 m -79.55 -30.87 41.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.782 2.551 . . . . 0.0 108.622 -173.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 123' ' ' PRO . 2.6 mt -75.08 -39.08 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.962 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.8 63.69 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.025 -1.898 . . . . 0.0 110.384 173.02 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' THR . 15.6 t0 -59.67 -55.22 37.17 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 112.998 -1.91 . . . . 0.0 112.07 171.233 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptp -69.59 -28.98 66.41 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.128 0.893 . . . . 0.0 111.942 -173.062 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.34 -57.11 8.17 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.628 1.205 . . . . 0.0 109.369 174.394 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.35 -35.5 65.3 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.115 -1.402 . . . . 0.0 114.71 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.6 t -70.64 -47.12 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.387 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.6 15.95 8.62 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.536 1.148 . . . . 0.0 112.689 -170.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.1 56.42 5.26 Favored Glycine 0 C--N 1.354 1.557 0 CA-C-O 122.031 0.795 . . . . 0.0 111.748 175.85 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.63 167.81 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 112.29 -1.955 . . . . 0.0 106.819 -174.43 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.397 174.904 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 123.274 1.512 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -117.13 127.11 53.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 109.66 -3.427 . . . . 0.0 108.671 -175.172 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.487 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.2 m -94.57 131.23 40.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.38 -2.191 . . . . 0.0 107.374 173.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -118.57 149.35 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 C-N-CA 128.664 2.786 . . . . 0.0 104.856 168.086 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 58' ' ' ILE 0.257 1.3 t -130.06 134.74 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 108.549 -3.932 . . . . 0.0 104.052 -172.016 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 129.62 39.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 125.244 1.59 . . . . 0.0 108.606 172.4 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.16 145.1 16.02 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 168.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG12 HD11 ' A' ' 63' ' ' LEU . 90.6 t -97.63 120.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 178.32 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -110.66 137.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.001 -164.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-N 111.423 -2.626 . . . . 0.0 111.22 -173.407 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.22 -0.463 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -81.78 -20.53 39.01 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 125.913 2.008 . . . . 0.0 110.54 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.73 -43.5 62.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.943 172.162 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -37.37 86.44 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.881 176.179 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -93.85 37.79 1.08 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.858 -1.973 . . . . 0.0 110.707 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.74 17.73 7.4 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.998 165.163 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.52 30.84 79.0 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-N 112.929 -1.941 . . . . 0.0 112.69 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -97.22 152.83 18.46 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 117.686 -1.605 . . . . 0.0 108.13 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -78.62 104.58 9.32 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.377 157.008 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.41 108.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 112.544 -2.116 . . . . 0.0 106.27 -174.432 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.4 t -101.01 110.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.373 -2.194 . . . . 0.0 107.921 -168.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.88 97.91 10.48 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 112.837 -1.983 . . . . 0.0 107.401 176.53 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.6 -35.23 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.061 -1.882 . . . . 0.0 110.681 -171.022 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.48 171.02 13.04 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.735 -1.575 . . . . 0.0 110.72 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -81.44 118.37 29.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 112.339 -1.93 . . . . 0.0 109.074 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.52 134.61 0.86 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 113.069 -1.878 . . . . 0.0 107.568 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.9 p -87.21 78.56 8.8 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.181 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 132.79 0.14 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.389 1.566 . . . . 0.0 112.979 171.25 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -50.8 -55.34 17.29 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.584 -3.007 . . . . 0.0 114.524 167.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -64.48 -17.95 64.32 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 118.879 -1.128 . . . . 0.0 111.905 -171.162 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -73.97 -43.73 57.17 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.441 173.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.3 -39.29 54.57 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.136 1.446 . . . . 0.0 113.107 -175.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.79 -33.49 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 109.96 -3.291 . . . . 0.0 112.809 161.489 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.47 -28.85 65.32 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.057 0.848 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.47 -28.72 63.09 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.684 1.24 . . . . 0.0 110.74 166.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.53 -30.23 66.92 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 116.048 -2.261 . . . . 0.0 113.044 167.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.86 -38.05 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.836 171.508 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.56 -50.39 14.01 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.868 -167.158 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' HG21 ' A' ' 5' ' ' THR . 22.4 p -99.86 -27.73 13.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 112.855 -1.975 . . . . 0.0 113.708 -172.607 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp 89.97 63.88 0.01 OUTLIER 'General case' 0 C--N 1.342 0.269 0 O-C-N 125.81 1.944 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.97 122.65 27.54 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 110.476 -3.056 . . . . 0.0 111.244 -171.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.09 -28.76 63.52 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 126.266 2.228 . . . . 0.0 110.222 173.668 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.2 144.68 36.71 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.14 177.112 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.562 ' HB ' HD22 ' A' ' 88' ' ' LEU . 32.6 mt -127.0 123.94 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 109.977 -3.283 . . . . 0.0 107.94 -175.29 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.9 t -115.17 114.86 25.84 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 112.667 -2.061 . . . . 0.0 110.443 -168.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.88 121.91 48.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.065 175.289 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 112.85 24.42 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 111.619 -2.537 . . . . 0.0 107.641 -175.719 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.447 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 55.8 m -100.63 154.78 18.3 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.987 -165.062 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD11 HG12 ' A' ' 10' ' ' VAL . 6.7 mp . . . . . 0 C--N 1.351 0.655 0 CA-C-N 111.278 -2.692 . . . . 0.0 108.045 175.738 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -27.91 39.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 110.785 -2.707 . . . . 0.0 111.813 -177.859 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -82.33 -44.52 19.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.46 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.32 -36.18 54.17 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.265 -171.183 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 27.6 p -78.06 -26.36 48.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 114.225 -1.352 . . . . 0.0 113.927 -170.798 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.7 111.95 6.56 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.09 -164.502 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.52 40.18 8.52 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 113.884 -1.507 . . . . 0.0 110.621 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 11.8 tp -75.38 -25.84 58.0 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 111.033 -2.583 . . . . 0.0 110.459 158.003 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' HD12 ' A' ' 88' ' ' LEU . 3.4 tmm_? -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.884 173.847 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.357 9.1 tp10 -77.32 -26.17 51.89 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 171.191 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -76.01 -29.45 58.15 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 125.605 1.815 . . . . 0.0 112.79 166.002 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -77.38 -39.25 47.96 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 125.369 1.668 . . . . 0.0 111.322 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.97 -37.96 75.94 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 109.607 -3.451 . . . . 0.0 108.357 174.29 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.276 28.2 mm-40 -73.22 -29.81 63.05 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.343 -2.208 . . . . 0.0 112.528 176.67 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -1.16 18.53 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.147 -1.842 . . . . 0.0 112.829 178.668 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.99 43.45 13.94 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 124.23 0.956 . . . . 0.0 110.723 179.109 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.1 mt -146.37 63.23 1.22 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 111.9 -2.15 . . . . 0.0 107.904 -177.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 124.6 47.71 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.619 -2.082 . . . . 0.0 110.66 -176.535 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.5 -27.96 2.58 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 107.475 -2.25 . . . . 0.0 107.475 -175.852 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 88' ' ' LEU . 36.7 mt -66.6 124.86 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 110.538 -2.831 . . . . 0.0 111.376 168.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.8 mppt? -95.79 136.53 36.08 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 110.985 -2.825 . . . . 0.0 108.863 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' ILE . 2.1 mt -122.28 137.04 54.98 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.127 -1.851 . . . . 0.0 111.642 -169.461 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -110.04 138.32 46.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 109.357 -3.565 . . . . 0.0 108.942 -178.748 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 9.8 p -128.27 123.8 60.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.57 171.514 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.96 151.05 20.83 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.202 -168.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.78 -131.64 10.8 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 110.961 -2.619 . . . . 0.0 111.168 166.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -89.32 68.39 7.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 112.364 -1.918 . . . . 0.0 110.204 -165.282 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 pt -97.84 -60.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.811 -159.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 104' ' ' VAL . 13.8 p . . . . . 0 C--N 1.358 0.973 0 CA-C-O 125.419 2.533 . . . . 0.0 113.232 -163.775 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.602 3.7 m-90 . . . . . 0 C--O 1.222 -0.374 0 N-CA-C 119.924 3.305 . . . . 0.0 119.924 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.08 -33.06 20.02 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 115.453 1.29 . . . . 0.0 115.453 171.771 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.15 -47.04 15.37 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.638 174.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 95' ' ' VAL . 58.1 t -65.73 -54.24 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.374 -171.094 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.36 -32.35 73.75 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.083 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.19 -50.04 75.57 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 117.468 -1.693 . . . . 0.0 111.829 173.876 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.95 -50.78 15.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.819 1.324 . . . . 0.0 112.658 -169.011 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.09 -38.44 90.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.57 -1.65 . . . . 0.0 109.584 -172.883 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -75.37 -28.5 59.54 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.557 -2.11 . . . . 0.0 112.656 174.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.2 70.17 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 123.948 0.78 . . . . 0.0 112.415 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -66.64 -55.09 16.82 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 117.779 -1.568 . . . . 0.0 109.753 170.513 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.5 20.04 0.1 OUTLIER Glycine 0 C--N 1.352 1.472 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.363 173.263 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.543 ' CZ ' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.21 146.25 30.58 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.24 -84.64 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 118.956 -1.098 . . . . 0.0 113.878 -164.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -145.18 155.98 43.6 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 121.619 0.723 . . . . 0.0 111.155 -167.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.78 128.72 75.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.814 -168.074 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.514 ' HB3' HG21 ' A' ' 121' ' ' THR . 7.7 m-85 -101.56 144.63 28.95 Favored Pre-proline 0 C--N 1.363 1.163 0 O-C-N 124.542 1.151 . . . . 0.0 113.135 168.833 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.22 176.89 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.071 2.514 . . . . 0.0 115.684 175.415 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.86 118.34 5.25 Favored 'Trans proline' 0 C--N 1.363 1.304 0 C-N-CA 121.543 1.495 . . . . 0.0 110.903 163.718 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.85 60.16 1.81 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.654 178.277 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.09 137.46 40.34 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.84 -1.68 . . . . 0.0 109.977 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.8 160.93 0.57 Allowed Pre-proline 0 CA--C 1.551 0.982 0 CA-C-N 112.398 -2.183 . . . . 0.0 110.883 159.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.04 -18.76 6.09 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 120.985 1.124 . . . . 0.0 112.862 173.252 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.72 67.44 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.27 -172.089 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -67.2 -36.37 81.57 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.027 178.648 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.69 -33.53 41.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 127.15 2.781 . . . . 0.0 109.599 -175.154 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 80.5 mt -75.46 -36.26 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 111.77 -2.468 . . . . 0.0 111.279 177.679 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.4 -30.87 63.55 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.956 170.144 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 1.1 t70 -58.97 -55.24 37.72 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.266 -2.243 . . . . 0.0 112.012 170.908 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 130' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -68.83 -28.8 67.06 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.127 0.892 . . . . 0.0 111.6 -178.02 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.31 -57.25 13.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.22 -34.74 59.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 112.874 -1.966 . . . . 0.0 114.777 -176.218 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.13 -47.09 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.18 -176.13 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.54 -16.83 60.22 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.732 1.27 . . . . 0.0 110.024 175.326 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.04 64.48 3.24 Favored Glycine 0 C--N 1.357 1.718 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.684 172.036 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.79 148.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 112.068 -2.066 . . . . 0.0 110.237 -163.245 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 112.852 -1.976 . . . . 0.0 110.139 179.505 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 123.058 1.409 . . . . 0.0 109.76 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -113.03 119.72 38.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 110.026 -3.261 . . . . 0.0 109.754 -169.451 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 55' ' ' ALA . 5.1 m -94.48 118.91 32.38 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 111.731 -2.486 . . . . 0.0 107.613 173.442 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -107.69 149.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.335 2.654 . . . . 0.0 105.058 163.189 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG13 HG21 ' A' ' 37' ' ' ILE 0.283 1.0 OUTLIER -130.3 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 CA-C-N 110.235 -3.166 . . . . 0.0 104.522 -171.93 . . . . . . . . 4 4 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 1.4 pt? -132.75 129.3 38.47 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 116.911 -1.916 . . . . 0.0 110.919 170.523 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.92 145.27 15.89 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 167.402 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.75 120.74 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.718 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.605 HG21 ' SG ' ' A' ' 71' ' ' CYS . 13.6 tt -108.8 117.88 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 112.422 -2.172 . . . . 0.0 109.661 -159.621 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.277 0 CA-C-N 112.097 -2.32 . . . . 0.0 110.495 -179.705 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 m -75.84 146.53 39.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.799 168.936 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HB2' HG21 ' A' ' 34' ' ' VAL . 2.2 m-30 85.98 -41.05 0.04 OUTLIER 'General case' 0 C--N 1.351 0.669 0 CA-C-N 111.489 -2.596 . . . . 0.0 109.211 -178.907 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -26.62 67.69 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 112.378 -2.192 . . . . 0.0 109.747 162.195 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.61 -6.07 13.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.914 -2.403 . . . . 0.0 111.985 171.118 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.66 11.21 13.62 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 123.988 0.805 . . . . 0.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.36 74.7 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.438 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.56 161.32 27.96 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 116.234 -2.186 . . . . 0.0 109.594 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -79.22 103.9 9.47 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 114.722 -2.791 . . . . 0.0 104.437 154.65 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 27' ' ' PHE 0.303 0.3 OUTLIER -128.03 137.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 112.686 -2.052 . . . . 0.0 110.649 -178.99 . . . . . . . . 4 4 . 1 . 029 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.12 110.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 112.073 -2.331 . . . . 0.0 108.557 -162.069 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -85.84 123.32 31.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.536 1.16 . . . . 0.0 108.787 176.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.434 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -97.09 -35.63 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 111.313 -2.676 . . . . 0.0 111.071 -160.278 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.42 140.03 2.78 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.443 -176.52 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 130.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.092 -2.054 . . . . 0.0 106.56 159.503 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.27 89.62 0.1 Allowed 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.78 -175.288 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 157.03 24.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.265 -2.698 . . . . 0.0 107.738 -172.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.16 174.68 5.75 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.963 -1.926 . . . . 0.0 109.049 -179.727 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 3.4 mm100 -47.85 -43.16 28.0 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 112.644 -2.071 . . . . 0.0 112.583 -178.393 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.21 -22.35 65.86 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 124.866 1.354 . . . . 0.0 112.791 -173.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -83.04 -40.44 19.92 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.763 1.289 . . . . 0.0 112.043 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -76.47 -34.11 58.69 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 123.187 1.47 . . . . 0.0 112.005 -177.15 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.419 HG13 ' SG ' ' A' ' 78' ' ' CYS . 11.5 mt -49.75 -49.49 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 109.58 -3.464 . . . . 0.0 110.682 159.086 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -70.32 -28.88 65.52 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.651 1.22 . . . . 0.0 112.25 -169.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -28.8 61.35 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.527 1.142 . . . . 0.0 111.564 171.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -75.7 -30.42 59.3 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 116.661 -2.016 . . . . 0.0 112.536 171.669 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.9 -36.49 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.221 174.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.04 -50.49 12.99 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.89 -171.366 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 p -103.08 -20.14 14.29 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 125.736 1.898 . . . . 0.0 115.418 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 97.74 54.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 125.748 1.905 . . . . 0.0 111.303 165.866 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -80.99 123.1 28.07 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 112.432 -2.167 . . . . 0.0 112.581 -169.68 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -89.91 -14.96 33.08 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.679 -2.055 . . . . 0.0 109.138 167.211 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 134' ' ' LEU 0.253 2.3 pt? -139.95 144.75 37.22 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.193 1.949 . . . . 0.0 112.85 171.751 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 88' ' ' LEU . 77.0 mt -130.81 107.91 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 108.547 -3.933 . . . . 0.0 107.452 -176.551 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 51.8 t -104.82 114.47 28.7 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.605 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.577 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.3 m -106.42 148.25 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.992 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -107.65 128.84 54.91 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.497 164.243 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.7 m -100.61 118.24 36.37 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.363 1.665 . . . . 0.0 107.218 172.768 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.348 0.516 0 CA-C-N 112.173 -2.285 . . . . 0.0 109.59 175.658 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -28.37 38.94 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 113.844 -1.178 . . . . 0.0 110.635 178.778 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.84 -44.18 76.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.946 -174.117 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.25 -56.11 4.84 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.551 177.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.605 ' SG ' HG21 ' A' ' 11' ' ' ILE . 68.0 m -66.89 -30.94 71.23 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.328 -1.306 . . . . 0.0 113.774 -164.0 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -57.53 114.01 2.05 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.303 1.002 . . . . 0.0 112.186 -174.429 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.21 58.39 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.759 177.425 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 tp -75.62 -26.51 57.87 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.794 0.938 . . . . 0.0 111.461 160.539 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.75 82.24 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.164 174.13 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.426 13.8 tp10 -77.67 -26.47 50.35 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 118.258 2.688 . . . . 0.0 118.258 178.728 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.306 44.1 tttp -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 125.349 1.655 . . . . 0.0 113.128 168.08 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HB2' HG21 ' A' ' 86' ' ' ILE . 91.3 m -77.38 -40.55 43.37 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 123.254 1.502 . . . . 0.0 111.519 175.526 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -63.73 -42.09 97.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 110.242 -3.163 . . . . 0.0 108.006 173.001 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.279 32.4 mt-10 -73.14 -29.7 63.06 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 112.143 -2.299 . . . . 0.0 112.674 -178.373 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.72 5.13 4.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.813 -177.6 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.86 42.74 8.04 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.908 172.055 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.65 -128.9 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 CA-C-N 112.37 -1.915 . . . . 0.0 106.188 173.689 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.253 0.9 OUTLIER -85.36 -170.61 3.21 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 123.655 1.693 . . . . 0.0 111.06 -172.909 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.07 56.59 2.14 Favored Glycine 0 N--CA 1.44 -1.1 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 150.038 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' A' ' 78' ' ' CYS 0.261 2.0 tt -63.64 127.17 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 109.649 -3.276 . . . . 0.0 110.184 -161.635 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.456 ' C ' HD23 ' A' ' 88' ' ' LEU . 62.6 mttp -87.75 116.78 26.14 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 109.579 -3.464 . . . . 0.0 106.572 -175.48 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 58' ' ' ILE . 3.2 mt -111.82 143.67 42.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 123.978 1.847 . . . . 0.0 108.804 -172.182 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -107.37 134.78 49.93 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 108.845 -3.798 . . . . 0.0 104.963 175.051 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.23 123.52 33.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 113.215 -1.811 . . . . 0.0 106.248 178.143 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.53 152.07 20.34 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.152 -163.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.47 -148.5 17.52 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 112.318 -1.941 . . . . 0.0 109.308 179.2 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.6 99.67 11.29 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 169.21 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.91 -18.8 6.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.047 -164.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 161.299 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 101' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 117.633 2.457 . . . . 0.0 117.633 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -82.29 -52.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-O 122.755 1.065 . . . . 0.0 110.375 151.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.34 -38.46 30.49 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.845 -2.434 . . . . 0.0 112.324 -164.366 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.474 HG21 ' CZ3' ' A' ' 101' ' ' TRP . 46.8 t -78.09 -45.67 26.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 113.451 -1.704 . . . . 0.0 110.44 -157.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -74.27 -31.45 62.54 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.326 170.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.42 -43.52 68.04 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 117.735 -1.586 . . . . 0.0 112.003 172.372 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -50.07 12.77 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.125 -175.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -72.79 -43.38 62.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.222 -172.055 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -66.29 -28.65 68.86 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.233 175.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.59 -27.99 69.62 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 124.027 0.829 . . . . 0.0 112.854 173.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.24 -42.2 93.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.266 169.345 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.47 11.81 0.53 Allowed Glycine 0 CA--C 1.537 1.46 0 CA-C-N 112.775 -2.012 . . . . 0.0 112.616 171.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.14 140.78 58.9 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 122.456 1.122 . . . . 0.0 109.343 177.089 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.66 -60.96 2.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.837 -2.438 . . . . 0.0 110.035 -173.774 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -145.18 156.23 43.74 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.507 -1.678 . . . . 0.0 109.537 -174.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.7 t -123.04 128.62 75.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 112.937 -1.938 . . . . 0.0 110.026 176.193 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -89.31 145.91 35.01 Favored Pre-proline 0 C--N 1.357 0.91 0 O-C-N 124.775 1.297 . . . . 0.0 111.207 171.223 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -57.48 179.79 0.13 Allowed 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.78 2.32 . . . . 0.0 113.61 177.5 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -80.78 116.81 3.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 120.919 1.079 . . . . 0.0 110.15 168.364 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.64 69.44 1.39 Allowed Glycine 0 C--N 1.351 1.41 0 CA-C-N 113.32 -1.764 . . . . 0.0 111.407 179.714 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 137.48 40.35 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.255 -1.973 . . . . 0.0 111.105 -173.466 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.31 157.18 1.24 Allowed Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 112.307 -2.224 . . . . 0.0 110.92 161.777 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.08 -14.65 8.41 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 120.94 1.093 . . . . 0.0 113.175 173.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -29.94 66.48 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.42 -175.111 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 125' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.36 -36.99 80.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.134 177.863 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 m -79.47 -31.32 42.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 126.365 2.29 . . . . 0.0 109.607 -171.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.18 -42.85 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 O-C-N 126.742 2.526 . . . . 0.0 110.107 178.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.84 63.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.821 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 125' ' ' THR . 65.2 t0 -65.24 -49.74 68.48 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 126.36 2.287 . . . . 0.0 113.479 170.542 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -69.66 -28.95 66.32 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.374 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -70.86 -52.31 21.06 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.099 -177.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.09 -57.24 13.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 117.582 -1.647 . . . . 0.0 113.826 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.24 -30.33 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.236 -2.256 . . . . 0.0 114.278 -169.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 57' ' ' LEU . 49.6 mt -93.93 -12.12 29.5 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 124.07 0.856 . . . . 0.0 111.153 -177.778 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.23 80.22 1.36 Allowed Glycine 0 C--N 1.352 1.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.491 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -149.01 155.8 8.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 112.159 -2.021 . . . . 0.0 107.037 -175.101 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.541 0.631 0 CA-C-N 112.955 -1.929 . . . . 0.0 109.288 -178.568 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -92.04 109.92 21.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.824 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -79.94 137.74 36.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 111.02 -2.809 . . . . 0.0 107.214 172.701 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.82 149.06 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 CA-C-O 124.484 2.088 . . . . 0.0 105.52 168.267 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 37' ' ' ILE 0.352 3.9 t -130.52 116.58 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.207 1 CA-C-N 107.782 -4.281 . . . . 0.0 104.113 -175.739 . . . . . . . . 4 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.03 128.93 44.63 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 116.812 -1.955 . . . . 0.0 109.952 177.636 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -123.98 145.63 16.01 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 111.467 -2.606 . . . . 0.0 109.757 177.306 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 39' ' ' VAL . 2.8 p -97.89 120.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 125.181 1.166 . . . . 0.0 108.472 170.737 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -113.08 136.37 49.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 111.557 -2.565 . . . . 0.0 111.503 -160.704 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.345 1.048 0 CA-C-N 110.821 -2.899 . . . . 0.0 112.304 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 125.006 2.336 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.549 ' HB2' ' H ' ' A' ' 29' ' ' ASN . 63.0 p 179.39 -66.52 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 106.399 -4.91 . . . . 0.0 102.868 -176.305 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 7.7 m-85 75.75 -58.03 0.56 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 126.569 2.418 . . . . 0.0 106.124 -168.87 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -44.94 11.37 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 112.303 165.408 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.549 ' H ' ' HB2' ' A' ' 26' ' ' SER . 30.6 t30 -105.63 12.51 31.07 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 125.066 1.479 . . . . 0.0 110.861 -175.621 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.9 3.36 34.28 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 117.873 -1.531 . . . . 0.0 110.005 153.189 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.49 80.65 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.363 -174.164 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.89 145.61 25.44 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.97 104.68 9.78 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 179.493 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 27' ' ' PHE . 80.8 t -127.26 140.59 48.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 124.872 1.357 . . . . 0.0 109.715 -166.398 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.4 t -132.92 110.91 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 110.812 -2.904 . . . . 0.0 106.772 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -85.84 114.17 22.56 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.556 179.175 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 7' ' ' VAL . 14.5 mt -68.95 -15.39 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.922 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.75 -173.58 45.48 Favored Glycine 0 C--N 1.357 1.708 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -176.137 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' A' ' 10' ' ' VAL . 3.0 p -80.95 118.98 29.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.139 169.112 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -162.35 145.88 11.69 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 110.674 -2.966 . . . . 0.0 108.198 172.227 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 4.7 m -109.03 59.55 0.6 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 111.717 -2.492 . . . . 0.0 109.205 -174.079 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.87 123.51 3.66 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 112.655 -2.066 . . . . 0.0 110.999 -177.598 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.15 -28.75 3.12 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 111.609 -2.542 . . . . 0.0 113.334 163.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.083 0.864 . . . . 0.0 113.191 -171.592 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -84.08 -27.94 27.9 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.519 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.19 -33.63 59.29 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.783 1.278 . . . . 0.0 113.099 179.843 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.79 -48.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 111.012 -2.813 . . . . 0.0 110.23 158.488 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -72.89 -29.14 62.93 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.186 1.554 . . . . 0.0 113.262 -164.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.22 -28.66 61.36 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.603 170.05 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.22 65.37 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 116.621 -2.031 . . . . 0.0 112.98 167.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -67.09 -40.99 86.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.81 173.232 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.96 -50.27 15.39 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.924 -167.695 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 p -102.19 -27.76 12.69 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 125.685 1.866 . . . . 0.0 114.511 -172.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 86.54 72.74 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.218 0 O-C-N 125.982 2.051 . . . . 0.0 109.546 177.176 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 133.51 55.2 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 109.92 -3.309 . . . . 0.0 110.222 176.498 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.99 -28.5 19.07 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.316 -1.766 . . . . 0.0 108.407 163.092 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 2.6 pt? -140.6 145.02 36.13 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.879 173.382 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 45.5 mt -121.48 127.96 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 112.522 -2.126 . . . . 0.0 107.592 173.442 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.1 114.89 25.92 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.168 -175.902 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.41 121.95 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 112.244 -2.253 . . . . 0.0 107.85 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -110.41 112.81 24.99 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.833 -174.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -135.12 164.44 27.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 124.604 2.145 . . . . 0.0 113.1 -172.619 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 N--CA 1.444 -0.773 1 CA-C-N 107.901 -4.227 . . . . 0.0 110.322 -168.08 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.29 -33.71 37.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.624 -0.788 . . . . 0.0 110.806 173.744 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.79 -44.52 45.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 113.538 -1.664 . . . . 0.0 110.576 -163.248 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -77.74 -56.29 4.64 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.417 1.073 . . . . 0.0 112.296 168.738 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' HG21 ' A' ' 11' ' ' ILE . 7.5 m -72.68 -25.95 61.44 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 118.468 -1.293 . . . . 0.0 113.397 -154.727 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.53 113.57 3.78 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.126 -1.03 . . . . 0.0 110.231 178.328 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.66 33.77 37.13 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.148 -176.084 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.36 -25.79 58.01 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 125.29 1.229 . . . . 0.0 109.481 152.158 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -53.65 -57.04 12.21 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 124.652 1.22 . . . . 0.0 109.907 167.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.463 11.1 pt-20 -77.27 -25.67 51.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.323 70.7 mmtt -76.16 -29.41 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 125.09 1.494 . . . . 0.0 113.756 168.641 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.9 t -76.19 -42.81 45.15 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.811 1.767 . . . . 0.0 109.47 174.197 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.253 5.5 m-20 -72.31 -27.85 62.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 109.766 -3.379 . . . . 0.0 111.8 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.291 17.3 mm-40 -73.52 -32.98 64.53 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.624 -2.08 . . . . 0.0 112.293 169.84 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 5.96 3.77 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.905 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.71 34.91 33.46 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.813 175.531 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.613 ' HB3' HD13 ' A' ' 86' ' ' ILE . 23.2 mt -136.77 59.01 1.71 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.059 -2.07 . . . . 0.0 107.287 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -94.06 112.4 24.22 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.034 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.31 -23.24 1.09 Allowed Glycine 0 C--N 1.343 0.971 0 CA-C-N 111.131 -2.758 . . . . 0.0 108.333 -166.856 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -69.76 124.75 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 112.309 -1.945 . . . . 0.0 109.451 167.362 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.34 135.85 33.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.581 -3.009 . . . . 0.0 107.352 160.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.544 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 23.6 mt -110.0 134.03 52.56 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.9 1.333 . . . . 0.0 111.181 -178.048 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -107.72 136.21 47.84 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.066 -2.788 . . . . 0.0 105.726 166.122 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.12 123.55 34.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.691 -1.595 . . . . 0.0 107.254 177.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.6 144.78 16.81 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.376 -172.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.47 -148.62 19.03 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.571 -1.814 . . . . 0.0 110.013 179.12 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -92.73 74.8 4.98 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.384 -1.908 . . . . 0.0 106.486 165.227 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.8 pt -73.81 -15.77 16.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.381 -2.191 . . . . 0.0 112.207 -165.489 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 173.048 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.402 2.5 m-90 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 119.603 3.186 . . . . 0.0 119.603 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.56 -33.09 29.67 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 115.667 1.372 . . . . 0.0 115.667 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.2 -45.97 17.13 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 112.981 -1.918 . . . . 0.0 112.374 175.466 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.66 -51.98 45.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 O-C-N 124.584 1.177 . . . . 0.0 110.659 -171.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.51 -38.54 87.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 113.415 -1.721 . . . . 0.0 112.056 175.513 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.45 -38.58 87.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 118.423 -1.311 . . . . 0.0 112.365 175.488 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -74.57 -53.24 9.79 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.455 -170.477 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -75.12 -45.87 38.17 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.214 -172.33 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.84 -28.8 64.87 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.059 -174.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.534 1.146 . . . . 0.0 111.387 173.76 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.3 ptm -79.55 1.63 25.18 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.565 1.166 . . . . 0.0 113.091 177.146 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 138.49 -25.14 2.87 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 124.307 1.004 . . . . 0.0 114.144 159.708 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -52.52 143.62 15.22 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 122.582 1.182 . . . . 0.0 112.362 -170.109 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.67 -61.98 1.56 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 112.035 -2.348 . . . . 0.0 109.054 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -145.37 156.21 43.64 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.731 1.269 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.6 t -107.28 113.96 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 111.376 -2.647 . . . . 0.0 109.05 176.335 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -97.84 147.16 32.66 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 113.211 -1.813 . . . . 0.0 109.776 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.59 179.05 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 121.823 1.682 . . . . 0.0 114.336 176.944 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -86.3 124.27 2.39 Favored 'Trans proline' 0 C--N 1.362 1.239 0 C-N-CA 122.218 1.945 . . . . 0.0 108.937 160.225 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.25 42.9 7.74 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 113.45 -1.704 . . . . 0.0 111.416 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 137.37 41.42 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 112.793 -1.704 . . . . 0.0 108.992 171.918 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.39 128.81 83.2 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.624 159.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -77.92 -10.37 16.76 Favored 'Trans proline' 0 C--N 1.355 0.897 0 N-CA-C 114.938 1.092 . . . . 0.0 114.938 -178.047 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.274 0.984 . . . . 0.0 110.357 176.89 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -61.15 -33.51 73.53 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.873 -1.512 . . . . 0.0 113.021 173.003 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.27 -32.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 125.37 1.669 . . . . 0.0 108.708 -172.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.0 -40.44 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.826 -177.038 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.03 63.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.298 -1.773 . . . . 0.0 110.988 171.68 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.272 10.4 t70 -74.25 -28.93 61.46 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 117.294 -1.763 . . . . 0.0 113.537 175.764 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 14.1 ptp -77.94 -29.0 49.7 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.393 174.022 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -57.03 9.65 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.463 -1.295 . . . . 0.0 108.856 173.214 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -49.73 -43.47 47.82 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 113.021 -1.9 . . . . 0.0 114.952 177.047 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.81 -39.68 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.978 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.26 27.46 5.15 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.17 0.919 . . . . 0.0 111.814 -169.551 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.02 54.02 7.4 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.473 172.564 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.73 159.12 4.68 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 112.83 -1.685 . . . . 0.0 106.999 -176.32 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 CA--C 1.549 0.93 0 O-C-N 124.771 1.295 . . . . 0.0 111.176 175.362 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.1 mtt . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 121.611 0.72 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -49.6 29.31 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 113.214 -1.812 . . . . 0.0 110.564 -171.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.5 165.44 19.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.663 -2.062 . . . . 0.0 108.027 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -91.75 109.99 21.32 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.823 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 10.5 m -99.71 130.64 45.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 111.638 -2.528 . . . . 0.0 107.079 166.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -106.54 144.29 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 164.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.332 2.5 t -130.27 116.36 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 CA-C-N 110.553 -3.021 . . . . 0.0 103.786 -176.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 129.07 55.31 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 118.331 -1.347 . . . . 0.0 108.614 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.552 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.13 145.71 16.0 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.323 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.19 120.67 46.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.864 -1.935 . . . . 0.0 105.88 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -96.8 129.18 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 110.787 -2.915 . . . . 0.0 108.589 -158.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.08 -176.58 53.16 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.404 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -87.02 -164.16 1.03 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 113.14 -1.53 . . . . 0.0 109.327 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 57.36 62.35 2.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.854 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.4 p -164.28 108.42 0.96 Allowed 'General case' 0 C--N 1.35 0.614 0 CA-C-N 111.8 -2.454 . . . . 0.0 108.901 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -76.65 -68.18 0.62 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-N 113.189 -1.823 . . . . 0.0 108.431 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 176.13 27.0 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 111.905 -2.407 . . . . 0.0 109.206 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.94 120.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.161 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.28 31.29 76.85 Favored Glycine 0 CA--C 1.538 1.531 0 CA-C-N 113.427 -1.715 . . . . 0.0 111.543 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -163.7 55.41 0.17 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 112.854 -1.673 . . . . 0.0 107.596 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -149.21 -37.58 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 CA-C-N 112.164 -2.289 . . . . 0.0 109.251 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.8 -15.81 8.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 113.241 -1.799 . . . . 0.0 109.748 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.1 -25.79 59.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.063 174.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -78.52 -39.72 37.2 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.323 167.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -57.38 -31.98 66.35 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.022 1.451 . . . . 0.0 112.25 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -63.57 -43.32 97.37 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 125.106 1.504 . . . . 0.0 111.93 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -75.36 -36.9 60.89 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.724 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.99 84.97 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.868 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -67.56 -20.45 65.4 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 111.886 -2.416 . . . . 0.0 112.604 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 6.13 16.81 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.737 0.648 . . . . 0.0 110.856 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 17.73 76.27 Favored Glycine 0 C--N 1.353 1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.007 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -96.01 151.15 19.7 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 117.511 -1.676 . . . . 0.0 108.012 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.98 109.76 12.32 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 164.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.69 109.04 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.79 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.93 114.08 27.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 111.186 -2.734 . . . . 0.0 107.451 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -85.87 103.55 14.71 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.514 -1.676 . . . . 0.0 107.223 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 7' ' ' VAL . 27.0 mt -68.96 -24.64 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 111.938 -2.392 . . . . 0.0 110.437 -173.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.53 149.66 8.97 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.784 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.7 t -80.95 131.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 113.734 -1.233 . . . . 0.0 107.712 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp 64.41 106.75 0.03 OUTLIER 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.61 1.819 . . . . 0.0 108.774 -161.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -162.44 141.93 9.4 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.465 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.645 -2.071 . . . . 0.0 109.046 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.598 ' HB3' HD13 ' A' ' 74' ' ' LEU . 18.1 mt-30 -63.43 -28.5 70.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 113.416 -1.72 . . . . 0.0 114.631 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.99 -14.69 63.17 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 117.614 -1.634 . . . . 0.0 112.162 173.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -84.1 -29.57 26.67 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 124.187 0.93 . . . . 0.0 111.575 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -75.86 -43.23 46.68 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 123.513 1.625 . . . . 0.0 111.089 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.83 -39.66 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 109.579 -3.464 . . . . 0.0 111.205 162.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.81 -33.65 68.69 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.437 1.086 . . . . 0.0 111.641 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.951 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.66 -28.99 68.18 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 116.75 -1.595 . . . . 0.0 110.809 169.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -76.48 -30.61 57.35 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.7 -1.2 . . . . 0.0 113.448 174.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.07 -37.46 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.032 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -73.91 -50.91 17.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.958 -173.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 2.4 t -87.39 -45.07 10.88 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.658 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 53' ' ' THR . 53.1 mtpt 90.6 78.45 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.881 -159.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.37 133.94 51.52 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 112.337 -2.21 . . . . 0.0 108.867 175.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.34 -28.01 19.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.967 0.792 . . . . 0.0 110.112 161.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 134' ' ' LEU 0.269 2.4 pt? -140.5 145.08 36.4 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.397 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 88' ' ' LEU . 52.6 mt -132.07 115.93 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.345 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.79 141.16 31.13 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 111.333 -2.667 . . . . 0.0 110.166 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 46' ' ' PHE . 3.0 m -115.57 141.53 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.685 166.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.27 112.98 23.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.3 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -104.35 125.79 50.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 113.972 -1.467 . . . . 0.0 108.044 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -133.88 34.0 3.41 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.582 1.176 . . . . 0.0 110.047 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.66 1.56 0.07 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.565 -1.198 . . . . 0.0 113.724 -163.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.91 16.39 78.26 Favored Glycine 0 C--N 1.352 1.469 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.829 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -135.44 32.65 3.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 122.408 1.099 . . . . 0.0 110.343 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.02 90.78 Favored Glycine 0 C--N 1.349 1.278 0 CA-C-N 112.354 -2.203 . . . . 0.0 111.966 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.8 -30.98 66.1 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.406 -1.897 . . . . 0.0 111.751 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.51 -44.45 98.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.864 -165.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -77.65 -52.05 9.63 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.544 1.152 . . . . 0.0 112.101 164.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.6 p -66.66 -27.61 67.8 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -149.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.87 114.85 1.17 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 125.192 1.557 . . . . 0.0 112.528 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.29 36.19 18.29 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 112.215 -2.266 . . . . 0.0 112.346 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 43' ' ' GLN . 27.7 tp -75.47 -25.9 57.77 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.02 1.071 . . . . 0.0 111.777 156.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -66.26 -41.25 90.19 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 117.184 -1.806 . . . . 0.0 108.391 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.431 2.4 tm-20 -77.45 -26.19 51.26 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 174.003 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.33 17.2 ttpp -76.0 -28.82 57.94 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.024 1.453 . . . . 0.0 112.997 167.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 58' ' ' ILE . 86.9 m -77.1 -38.04 53.11 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 125.275 1.61 . . . . 0.0 110.163 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.97 -45.04 91.51 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 110.492 -3.049 . . . . 0.0 110.017 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.349 1.6 pt-20 -73.28 -29.91 63.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 109.583 -3.462 . . . . 0.0 113.039 -178.632 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -0.43 16.07 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 112.784 -2.007 . . . . 0.0 112.801 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.99 41.95 21.22 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 122.678 1.154 . . . . 0.0 110.307 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 50' ' ' ALA . 18.4 mt -145.17 48.3 1.29 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.234 -2.483 . . . . 0.0 107.342 -174.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.16 125.47 35.95 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.402 -2.181 . . . . 0.0 109.687 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.33 -29.9 2.57 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.6 mp -67.46 124.68 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 111.685 -2.257 . . . . 0.0 111.102 173.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' C ' HD23 ' A' ' 88' ' ' LEU . 49.5 mtmt -98.14 135.53 39.66 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 109.017 -3.72 . . . . 0.0 108.325 170.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.0 mt -110.02 148.29 31.95 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.278 1.513 . . . . 0.0 110.948 -172.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -107.69 145.43 33.42 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 109.924 -3.307 . . . . 0.0 106.851 168.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.12 123.71 34.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 113.122 -1.854 . . . . 0.0 107.353 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.15 22.27 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.657 -1.611 . . . . 0.0 111.5 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 113.06 -141.32 16.85 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 112.235 -1.983 . . . . 0.0 110.733 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -82.57 71.93 9.64 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.952 -1.624 . . . . 0.0 108.302 171.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -68.71 -35.78 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-N 110.254 -3.157 . . . . 0.0 111.254 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 96' ' ' VAL . 61.1 t -126.37 176.7 6.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.423 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 171.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' H ' HG12 ' A' ' 95' ' ' VAL . 57.4 t -61.21 101.59 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.427 1.079 . . . . 0.0 109.347 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.72 -98.95 0.88 Allowed Glycine 0 C--N 1.354 1.566 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.788 -161.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.4 129.63 0.7 Allowed 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.332 -1.934 . . . . 0.0 107.965 166.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -73.8 -112.88 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.291 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -147.34 106.98 3.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.525 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.334 1.6 m-90 -7.47 -58.41 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 168.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.85 -40.5 84.79 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 120.278 1.135 . . . . 0.0 114.764 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -80.05 -36.67 35.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.635 -2.075 . . . . 0.0 111.949 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -76.25 -44.94 36.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.974 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.62 -27.91 61.53 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 114.049 -1.432 . . . . 0.0 111.155 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.26 -34.51 75.28 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 118.938 -1.105 . . . . 0.0 111.195 168.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -53.09 24.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -72.71 -45.63 57.75 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.906 -1.952 . . . . 0.0 112.088 -167.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.65 -28.83 68.05 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.25 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.38 84.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.257 0.973 . . . . 0.0 111.726 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 82.8 mmm -74.06 -35.98 64.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.583 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.12 -17.05 3.19 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 113.817 -1.538 . . . . 0.0 112.99 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -60.39 115.73 3.77 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.032 0.92 . . . . 0.0 109.598 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.99 -38.97 63.98 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 112.253 -2.248 . . . . 0.0 111.498 -165.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -133.83 139.13 46.06 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.195 -1.82 . . . . 0.0 109.484 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.3 t -123.22 113.8 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.313 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -90.77 142.45 27.74 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.829 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -63.66 -177.11 0.38 Allowed 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.08 1.854 . . . . 0.0 113.738 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.49 122.77 2.45 Favored 'Trans proline' 0 C--N 1.362 1.246 0 C-N-CA 121.866 1.711 . . . . 0.0 110.493 167.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.28 55.91 2.8 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.874 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.1 137.37 37.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.143 -2.028 . . . . 0.0 108.902 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -54.62 141.28 55.95 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 113.205 -1.816 . . . . 0.0 109.157 162.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.25 -9.82 17.67 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 122.686 0.835 . . . . 0.0 112.548 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.92 71.16 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.361 1.038 . . . . 0.0 111.275 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -71.14 -37.24 72.27 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.209 176.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 m -79.5 -32.11 42.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 126.38 2.3 . . . . 0.0 109.296 -170.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.21 -41.99 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 126.415 2.322 . . . . 0.0 110.135 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.99 63.82 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.129 -1.851 . . . . 0.0 110.523 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.2 t0 -63.91 -55.05 25.53 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.335 171.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.9 ptp -65.19 -29.34 70.15 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.85 -57.07 6.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 118.709 -1.197 . . . . 0.0 109.88 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.43 -35.18 69.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.901 -1.5 . . . . 0.0 114.545 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.29 -42.75 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.919 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.587 HD11 HD22 ' A' ' 57' ' ' LEU . 27.8 mt -99.79 23.91 9.07 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.322 1.013 . . . . 0.0 112.024 -166.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.67 52.64 6.37 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.223 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -148.68 160.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 112.726 -1.737 . . . . 0.0 106.743 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.548 0.901 0 O-C-N 124.719 1.262 . . . . 0.0 111.232 174.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 121.375 0.607 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.84 -29.77 63.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.269 170.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.96 165.31 11.29 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.978 -2.374 . . . . 0.0 106.42 170.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -104.09 109.77 21.69 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 123.087 1.423 . . . . 0.0 109.449 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -90.74 129.51 36.82 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 109.986 -3.279 . . . . 0.0 106.369 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.47 HG12 HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -127.83 137.9 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 C-N-CA 126.676 1.99 . . . . 0.0 106.017 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 37' ' ' ILE 0.299 16.7 t -130.26 116.57 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.902 0 CA-C-N 109.223 -3.626 . . . . 0.0 104.931 -170.739 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -126.38 128.49 47.12 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 117.426 -1.71 . . . . 0.0 110.908 -176.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.48 146.15 16.1 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 110.474 -3.057 . . . . 0.0 112.273 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 t -97.35 120.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 C-N-CA 116.984 -1.886 . . . . 0.0 106.245 160.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -96.43 144.17 10.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 111.807 -2.451 . . . . 0.0 107.714 -165.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.57 104.24 0.89 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 -163.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.98 123.27 12.99 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.266 -1.967 . . . . 0.0 110.772 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 71.01 98.44 0.07 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 112.542 -2.117 . . . . 0.0 109.719 -173.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.9 m -156.72 149.12 23.32 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 112.733 -2.03 . . . . 0.0 108.522 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.57 8.5 24.83 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 112.965 -1.925 . . . . 0.0 114.122 -161.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.74 45.19 8.05 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.525 1.14 . . . . 0.0 113.48 165.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.38 -37.56 57.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.62 48.91 0.89 Allowed Glycine 0 C--N 1.345 1.056 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.894 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -168.22 35.26 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.718 -1.741 . . . . 0.0 109.301 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -141.78 103.84 4.42 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.21 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm 87.07 -34.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 112.444 -2.162 . . . . 0.0 109.754 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -74.22 -34.31 63.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.713 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.67 -35.77 75.43 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.284 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -69.59 -31.71 70.02 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.026 -2.352 . . . . 0.0 110.948 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -55.91 -41.5 74.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.976 1.423 . . . . 0.0 113.631 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.05 -39.07 61.2 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.238 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -31.15 72.25 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.506 -2.133 . . . . 0.0 110.423 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -80.06 -20.7 44.62 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 112.005 -2.361 . . . . 0.0 112.075 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 2.33 49.0 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.948 0.78 . . . . 0.0 110.524 -168.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.32 77.05 Favored Glycine 0 C--N 1.355 1.599 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.837 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -85.04 157.11 20.83 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.206 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -80.99 104.84 11.77 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 116.123 -2.231 . . . . 0.0 106.318 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 6' ' ' ILE . 12.0 t -127.23 115.93 42.42 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 124.969 1.418 . . . . 0.0 111.988 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.97 110.8 22.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 111.294 -2.684 . . . . 0.0 106.677 159.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -93.43 105.18 17.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.421 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 7' ' ' VAL . 2.6 mt -68.87 -31.26 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.239 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.16 -163.29 50.5 Favored Glycine 0 C--N 1.356 1.64 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.023 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.92 170.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 112.783 -1.709 . . . . 0.0 108.959 174.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? 60.78 73.57 0.48 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -174.41 160.71 3.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 111.162 -2.745 . . . . 0.0 108.062 -167.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 m -153.14 173.41 15.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.916 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -52.31 -28.93 21.07 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -164.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.93 -39.04 73.75 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 124.878 1.361 . . . . 0.0 112.106 173.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.39 -33.33 58.87 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.173 -1.831 . . . . 0.0 112.414 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.584 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.24 -35.22 59.09 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 123.508 1.623 . . . . 0.0 112.67 -177.093 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -49.94 -45.32 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-N 110.153 -3.203 . . . . 0.0 111.169 159.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -75.04 -28.96 60.65 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.764 1.29 . . . . 0.0 112.789 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 7' ' ' VAL . . . -74.19 -28.5 61.31 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.01 0.819 . . . . 0.0 110.536 168.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.27 65.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 117.289 -1.765 . . . . 0.0 113.101 165.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.46 -41.81 86.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.665 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -75.24 -50.31 16.54 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.805 -168.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -101.64 -24.91 14.04 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 125.725 1.891 . . . . 0.0 114.851 -172.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttp 87.18 71.35 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.819 1.949 . . . . 0.0 109.776 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.05 135.67 57.7 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 109.8 -3.364 . . . . 0.0 111.034 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.28 -28.56 18.7 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.3 -1.773 . . . . 0.0 108.858 159.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.267 2.6 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.964 1.364 . . . . 0.0 112.617 176.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.52 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 28.2 mt -125.75 131.03 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.388 -2.642 . . . . 0.0 107.785 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.85 139.85 46.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.379 -2.192 . . . . 0.0 109.684 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.05 121.79 34.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 111.752 -2.476 . . . . 0.0 106.824 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 t -115.04 127.96 55.96 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 113.901 -1.5 . . . . 0.0 108.675 -173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -127.69 137.02 52.36 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.801 -1.999 . . . . 0.0 109.984 -163.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.34 -68.12 0.84 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.245 -160.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -41.89 59.71 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.515 1.15 . . . . 0.0 108.847 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.13 29.01 0.04 OUTLIER Glycine 0 C--N 1.35 1.351 0 CA-C-N 111.61 -2.541 . . . . 0.0 110.756 -161.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -92.47 23.83 3.78 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.703 -1.248 . . . . 0.0 112.369 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.12 -37.77 20.77 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 173.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -79.85 -29.89 40.22 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.754 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.1 mt -91.36 -45.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.355 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.43 -56.71 4.23 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 118.289 -1.364 . . . . 0.0 113.526 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -78.39 -25.83 46.29 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 112.291 -2.231 . . . . 0.0 112.713 -156.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.12 124.5 21.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.619 -169.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.21 25.85 46.53 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 112.582 -2.099 . . . . 0.0 111.826 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' A' ' 43' ' ' GLN . 16.9 tp -75.6 -25.8 57.3 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.414 0.714 . . . . 0.0 112.187 162.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 -64.82 -42.7 94.77 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 116.041 -2.264 . . . . 0.0 109.102 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.345 30.1 mt-10 -77.6 -26.57 50.77 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 118.341 2.719 . . . . 0.0 118.341 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.287 75.3 mttt -76.49 -29.26 56.76 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 125.959 2.037 . . . . 0.0 113.337 165.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.5 t -77.14 -33.48 56.66 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 123.201 1.477 . . . . 0.0 110.84 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -65.24 -42.81 92.98 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 110.749 -2.932 . . . . 0.0 109.21 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.304 1.6 pt-20 -73.0 -29.87 63.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 109.83 -3.35 . . . . 0.0 111.938 -176.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.15 11.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.079 -2.328 . . . . 0.0 112.737 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 37.2 39.1 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB3' HD13 ' A' ' 86' ' ' ILE . 64.1 mt -142.24 48.72 1.56 Allowed 'General case' 0 C--N 1.347 0.46 0 CA-C-N 111.739 -2.231 . . . . 0.0 108.485 -171.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 113.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.917 171.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.54 -27.58 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 111.753 -2.476 . . . . 0.0 108.433 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.91 124.92 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 111.839 -2.18 . . . . 0.0 109.948 167.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -87.85 134.02 33.78 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 110.648 -2.978 . . . . 0.0 107.67 162.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.52 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 17.5 mt -109.96 133.6 53.01 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.647 1.213 . . . . 0.0 111.132 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 110.762 -2.926 . . . . 0.0 106.18 171.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.477 HG21 ' SG ' ' A' ' 71' ' ' CYS . 12.4 p -136.11 123.65 34.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.16 152.16 20.29 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.501 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.38 -154.27 18.5 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 111.498 -2.351 . . . . 0.0 109.699 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -83.59 91.91 7.54 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 112.435 -1.883 . . . . 0.0 108.421 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 pt -93.73 -11.53 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 112.489 -2.142 . . . . 0.0 112.097 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.46 171.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.77 155.35 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 112.082 -2.326 . . . . 0.0 109.902 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -36.77 -46.67 1.18 Allowed Glycine 0 CA--C 1.545 1.962 0 CA-C-N 113.852 -1.522 . . . . 0.0 113.533 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -78.36 110.23 13.22 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.131 -1.534 . . . . 0.0 109.205 163.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 133.43 8.27 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.733 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.94 86.04 2.15 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 113.032 -1.895 . . . . 0.0 110.281 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.459 ' H ' ' HE3' ' A' ' 101' ' ' TRP 0.434 1.3 m-90 6.84 -62.37 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 157.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.25 -42.45 67.36 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 CA-C-N 120.831 1.333 . . . . 0.0 115.2 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.09 -38.34 31.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.672 -2.058 . . . . 0.0 112.102 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.72 -41.31 70.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.915 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -74.03 -31.95 63.13 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.225 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -58.83 -39.39 81.08 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.636 1.21 . . . . 0.0 111.005 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -76.62 -44.56 33.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.424 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.01 -42.9 56.47 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.571 1.17 . . . . 0.0 111.28 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -69.4 -28.99 66.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.023 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.95 61.62 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.447 1.092 . . . . 0.0 111.072 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -39.47 83.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.743 173.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.43 -48.57 0.26 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 113.493 -1.685 . . . . 0.0 112.033 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -48.75 141.4 7.37 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 125.126 1.133 . . . . 0.0 113.136 -160.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.04 -51.71 36.11 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.319 -2.219 . . . . 0.0 109.463 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -145.21 141.24 28.49 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.666 -2.061 . . . . 0.0 110.081 -169.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.31 113.91 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 112.634 -2.075 . . . . 0.0 109.729 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.48 143.4 28.08 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.671 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -54.53 176.19 0.12 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.097 2.531 . . . . 0.0 115.553 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.27 112.2 2.75 Favored 'Trans proline' 0 C--N 1.363 1.29 0 N-CA-C 108.983 -1.199 . . . . 0.0 108.983 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.89 74.58 0.78 Allowed Glycine 0 C--N 1.351 1.416 0 CA-C-N 112.984 -1.917 . . . . 0.0 111.063 -173.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.49 137.85 33.11 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.445 -1.878 . . . . 0.0 109.683 -178.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.45 157.13 1.82 Allowed Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.028 159.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -83.08 -15.47 7.93 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.154 1.236 . . . . 0.0 114.065 173.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.4 -29.88 67.72 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.625 1.203 . . . . 0.0 110.885 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -68.29 -39.04 82.21 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 113.467 -1.697 . . . . 0.0 112.47 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m -79.44 -37.65 36.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.318 2.261 . . . . 0.0 108.603 -168.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.8 mt -72.88 -40.91 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 111.632 -2.531 . . . . 0.0 110.499 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.84 63.72 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.984 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -70.42 -37.78 74.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 116.599 -2.04 . . . . 0.0 113.314 173.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 10.5 ptp -72.91 -28.9 62.73 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.41 1.005 . . . . 0.0 111.958 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.95 -54.6 31.94 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.427 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -70.68 -47.79 58.09 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.027 -1.897 . . . . 0.0 114.413 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.69 -38.17 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.461 1.101 . . . . 0.0 112.245 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -79.7 -13.5 59.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.523 1.139 . . . . 0.0 111.349 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.56 81.48 0.57 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.56 157.86 16.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-N 112.607 -1.797 . . . . 0.0 107.685 -170.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 112.461 -2.154 . . . . 0.0 110.243 -176.034 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 122.001 0.905 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -115.37 74.09 0.87 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.943 -1.935 . . . . 0.0 108.916 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 165.36 17.18 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.021 -2.354 . . . . 0.0 106.15 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -78.86 109.72 13.39 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 118.073 -1.451 . . . . 0.0 108.864 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -99.9 116.97 33.2 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 110.669 -2.969 . . . . 0.0 106.504 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.92 135.09 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 CA-C-N 112.714 -2.039 . . . . 0.0 105.655 166.208 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 37' ' ' ILE 0.298 1.3 t -130.13 116.86 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 109.163 -3.653 . . . . 0.0 103.62 -164.292 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.05 129.25 39.78 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.462 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.67 145.94 16.19 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 110.945 -2.843 . . . . 0.0 108.878 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.39 120.56 46.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 172.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.82 117.74 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.071 -170.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.76 49.05 0.03 OUTLIER Glycine 0 C--N 1.347 1.163 0 CA-C-N 111.156 -2.747 . . . . 0.0 111.581 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 t 58.9 167.72 0.06 Allowed 'General case' 0 C--N 1.348 0.537 0 CA-C-N 111.581 -2.309 . . . . 0.0 112.694 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 111.88 1.17 Allowed 'General case' 0 C--N 1.351 0.645 0 CA-C-N 112.134 -2.303 . . . . 0.0 111.09 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.5 p -164.85 -152.23 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.453 -2.158 . . . . 0.0 107.769 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -83.65 163.19 20.45 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.507 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.6 67.9 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.223 -174.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t 47.22 101.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 112.064 -2.334 . . . . 0.0 112.04 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.69 -58.35 2.96 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -172.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.08 154.57 37.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 112.359 -1.92 . . . . 0.0 108.923 166.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 mttm 103.42 -53.04 0.0 OUTLIER 'General case' 0 C--N 1.352 0.702 0 O-C-N 126.404 2.315 . . . . 0.0 107.15 -157.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 mt -85.67 -21.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 112.817 -1.992 . . . . 0.0 110.942 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.13 -52.42 12.6 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 117.648 -1.621 . . . . 0.0 109.68 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -66.0 -47.06 75.74 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.481 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -59.95 -35.02 74.05 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.712 1.258 . . . . 0.0 112.317 -172.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -69.32 -34.6 74.9 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 125.248 1.592 . . . . 0.0 111.77 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -79.02 -35.76 42.21 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.307 -1.77 . . . . 0.0 110.139 -174.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -38.99 79.03 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.221 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -62.21 -20.54 64.29 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.034 -2.348 . . . . 0.0 112.958 170.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 7.0 33.04 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 121.39 0.614 . . . . 0.0 110.058 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.52 18.72 78.85 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.712 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.65 157.17 19.17 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 116.975 -1.89 . . . . 0.0 108.933 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -77.92 104.73 8.66 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 162.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.56 129.24 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.932 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 53' ' ' THR . 0.0 OUTLIER -133.08 113.39 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 110.667 -2.969 . . . . 0.0 106.989 -168.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -85.75 102.93 14.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.293 -2.231 . . . . 0.0 106.863 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 pp -71.1 -28.47 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 111.007 -2.815 . . . . 0.0 110.523 -169.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.17 159.85 10.05 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.303 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.96 117.77 31.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.313 -1.943 . . . . 0.0 107.381 171.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 174.67 148.88 0.08 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.716 -2.038 . . . . 0.0 107.389 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -91.21 106.94 18.87 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.256 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t 178.17 117.54 0.04 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.82 166.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -48.01 -55.06 10.97 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.239 -1.8 . . . . 0.0 113.344 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.53 -17.81 60.63 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 124.253 0.97 . . . . 0.0 112.414 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.13 -37.54 33.34 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.896 0.747 . . . . 0.0 111.564 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -40.97 50.08 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 123.191 1.472 . . . . 0.0 111.616 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.71 -38.65 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 109.753 -3.385 . . . . 0.0 112.085 160.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -68.16 -28.76 67.57 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.146 0.904 . . . . 0.0 111.064 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.18 61.28 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 124.605 1.19 . . . . 0.0 113.262 168.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.74 -30.53 69.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 117.339 -1.744 . . . . 0.0 114.643 162.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.58 -40.36 71.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.705 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.05 -50.43 13.12 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 113.909 -1.496 . . . . 0.0 109.134 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.433 HG21 HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -104.33 -11.36 17.2 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 110.523 -3.035 . . . . 0.0 112.709 -162.296 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 79.45 61.74 0.02 OUTLIER 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.033 1.458 . . . . 0.0 110.842 164.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 140.04 57.18 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.255 -2.248 . . . . 0.0 112.068 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.63 -31.15 16.76 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.472 150.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 134' ' ' LEU 0.255 2.6 pt? -140.46 144.88 36.32 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 123.111 1.434 . . . . 0.0 112.301 -177.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 7' ' ' VAL . 23.1 mt -125.31 130.02 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 110.528 -3.033 . . . . 0.0 108.088 176.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.3 m -115.03 141.08 48.49 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 111.75 -2.477 . . . . 0.0 108.709 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.15 121.75 47.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 111.836 -2.438 . . . . 0.0 106.698 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 112.4 24.54 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 63' ' ' LEU . 92.4 p -103.83 124.75 49.5 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.714 -1.584 . . . . 0.0 108.512 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 62' ' ' SER . 3.4 mm? -128.06 34.13 4.64 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.106 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -157.67 -177.61 6.71 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.603 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.81 41.21 2.99 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.895 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.74 23.45 3.11 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 113.817 -1.191 . . . . 0.0 109.743 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.8 -18.88 77.77 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.423 -1.717 . . . . 0.0 110.984 171.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.6 -44.47 42.86 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.56 -1.32 . . . . 0.0 109.765 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -44.77 32.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 CA-C-N 111.212 -2.722 . . . . 0.0 110.717 -167.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.72 -51.93 9.77 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.713 -2.039 . . . . 0.0 112.863 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.18 -44.42 53.52 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.534 1.147 . . . . 0.0 112.257 -166.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -75.29 135.39 40.92 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 118.891 -1.123 . . . . 0.0 110.831 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 17.75 64.08 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 112.166 -2.288 . . . . 0.0 111.599 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -75.52 -25.78 57.51 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.954 1.032 . . . . 0.0 111.002 157.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.42 -46.87 86.61 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.873 171.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.442 28.5 mm-40 -77.38 -26.27 51.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 2.2 mmmp? -76.24 -29.56 57.56 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 125.427 1.704 . . . . 0.0 113.228 166.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 t -77.36 -32.12 54.82 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.38 1.562 . . . . 0.0 111.55 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.08 -44.26 80.52 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 110.481 -3.054 . . . . 0.0 109.52 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.1 -29.66 63.08 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 109.304 -3.589 . . . . 0.0 112.233 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.78 -0.08 14.67 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.641 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 38.98 34.33 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -142.14 35.54 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 111.787 -2.207 . . . . 0.0 109.711 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.9 122.07 24.32 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.758 -1.565 . . . . 0.0 110.142 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.16 -33.35 1.24 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD21 ' A' ' 88' ' ' LEU . 1.3 mp -65.05 124.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 111.367 -2.417 . . . . 0.0 111.562 171.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -95.78 142.82 27.61 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 109.317 -3.583 . . . . 0.0 108.822 171.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.488 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.1 mt -116.71 140.28 49.6 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 124.008 1.861 . . . . 0.0 112.188 -165.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 109.569 -3.469 . . . . 0.0 106.804 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.04 123.56 34.67 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-N 113.629 -1.623 . . . . 0.0 106.636 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.02 149.6 16.92 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 113.792 -1.549 . . . . 0.0 113.562 -166.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.42 -131.49 10.74 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 111.626 -2.287 . . . . 0.0 110.759 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -92.78 76.97 4.87 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.048 -1.076 . . . . 0.0 109.059 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.23 -11.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-N 113.023 -1.899 . . . . 0.0 112.215 -172.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 HG13 ' A' ' 104' ' ' VAL . 25.5 t -128.26 161.41 36.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 168.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.5 88.94 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.668 -2.514 . . . . 0.0 110.695 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.22 -97.09 0.35 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.717 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tptt 73.75 164.58 0.28 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.327 -1.937 . . . . 0.0 110.934 166.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.36 149.73 16.13 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.538 171.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -80.71 81.13 7.04 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 125.257 1.598 . . . . 0.0 110.136 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.326 1.2 m-90 77.84 13.18 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 163.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.19 -52.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 122.423 1.901 . . . . 0.0 112.955 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.42 -29.93 37.66 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.324 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 95' ' ' VAL . 61.5 t -74.22 -36.44 43.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.117 -1.856 . . . . 0.0 110.79 -167.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.09 -46.2 44.43 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.345 172.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -49.85 -43.96 49.36 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.442 1.089 . . . . 0.0 112.431 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.63 -53.18 9.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.521 -172.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -75.14 -45.47 40.68 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.863 -170.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -60.23 -44.94 94.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.898 -1.955 . . . . 0.0 111.729 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.55 72.56 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.77 1.294 . . . . 0.0 112.172 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 33.8 mmt -75.96 -25.19 55.65 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.797 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.29 -6.38 0.23 Allowed Glycine 0 C--N 1.359 1.841 0 C-N-CA 117.936 -2.078 . . . . 0.0 115.507 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -74.38 138.38 43.36 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 118.511 -1.276 . . . . 0.0 110.049 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.59 -62.68 1.7 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-N 112.459 -2.155 . . . . 0.0 109.438 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -145.17 156.06 43.65 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.428 1.705 . . . . 0.0 109.746 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.8 113.94 45.63 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 111.41 -2.632 . . . . 0.0 107.257 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 121' ' ' THR . 32.5 m-85 -76.98 142.43 69.1 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.164 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -54.91 -179.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.282 2.655 . . . . 0.0 113.797 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -83.58 114.92 2.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 N-CA-C 109.377 -1.047 . . . . 0.0 109.377 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.88 71.67 1.11 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.193 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.05 137.67 40.02 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.154 -2.023 . . . . 0.0 110.692 -174.112 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.45 151.61 0.57 Allowed Pre-proline 0 CA--C 1.552 1.022 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.25 157.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.12 -10.02 10.36 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 121.31 1.34 . . . . 0.0 113.262 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.98 -29.77 66.94 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 124.342 1.026 . . . . 0.0 111.135 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -32.97 68.6 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 125.277 1.61 . . . . 0.0 112.399 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.5 m -79.64 -36.39 37.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 126.324 2.265 . . . . 0.0 108.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.4 mt -75.13 -37.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 111.925 -2.398 . . . . 0.0 110.087 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.9 64.13 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.302 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.19 -55.46 24.89 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 116.132 -2.227 . . . . 0.0 112.387 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 7.7 ptp -71.12 -28.94 64.66 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.693 0.621 . . . . 0.0 112.111 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -70.68 -57.33 4.8 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 117.419 -1.712 . . . . 0.0 109.484 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.96 -35.2 74.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.726 -170.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -78.73 -33.95 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.264 -1.335 . . . . 0.0 112.33 -174.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.413 HD11 HD22 ' A' ' 57' ' ' LEU . 45.6 mt -88.85 -3.66 58.69 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 124.237 0.961 . . . . 0.0 111.661 -175.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.34 63.78 1.18 Allowed Glycine 0 C--N 1.355 1.602 0 O-C-N 124.213 0.946 . . . . 0.0 110.912 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.01 157.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.178 -2.011 . . . . 0.0 107.318 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 113.85 -1.523 . . . . 0.0 109.13 174.136 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.596 0.713 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.3 126.93 31.43 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.624 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.93 165.29 20.51 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.57 -2.104 . . . . 0.0 107.509 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -113.01 119.02 36.46 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.817 -1.992 . . . . 0.0 107.128 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.8 m -90.57 126.57 35.98 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.307 -2.679 . . . . 0.0 106.75 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.445 HG22 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -120.96 148.94 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 0 C-N-CA 127.312 2.245 . . . . 0.0 105.449 171.786 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.14 138.02 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 1 CA-C-N 107.893 -4.23 . . . . 0.0 103.971 -170.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.49 129.84 39.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 117.423 -1.711 . . . . 0.0 108.187 167.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.21 145.02 15.98 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.394 166.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.67 124.61 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 111.632 -2.284 . . . . 0.0 105.205 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.52 122.57 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 112.92 -1.946 . . . . 0.0 107.639 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.39 -75.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.065 0 CA-C-N 110.347 -3.115 . . . . 0.0 110.859 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.6 p -175.81 118.94 0.16 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 111.443 -2.378 . . . . 0.0 107.841 -162.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.25 85.47 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 O-C-N 125.395 1.685 . . . . 0.0 112.244 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.3 m -172.96 -65.07 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.343 -2.208 . . . . 0.0 108.523 -170.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -100.02 129.93 46.13 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.882 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.31 95.26 2.69 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.671 -2.059 . . . . 0.0 106.235 170.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.52 146.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.574 -168.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.23 -59.23 2.7 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 112.713 -2.04 . . . . 0.0 110.017 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -72.53 -28.4 62.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 111.541 -2.329 . . . . 0.0 111.005 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -80.79 86.09 6.03 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 123.296 1.522 . . . . 0.0 110.206 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.255 0.0 OUTLIER 177.95 -45.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 109.887 -3.324 . . . . 0.0 106.646 -174.108 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 121' ' ' THR . 19.2 mt -66.68 -33.29 75.31 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 111.267 -2.697 . . . . 0.0 109.911 168.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.41 -52.7 62.71 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.945 -1.934 . . . . 0.0 111.042 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -65.21 -35.18 80.25 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 112.116 -2.311 . . . . 0.0 111.271 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 -29.63 61.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.569 -1.65 . . . . 0.0 112.6 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -66.08 -41.71 90.34 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.265 0.978 . . . . 0.0 109.086 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.12 79.48 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 112.88 -1.964 . . . . 0.0 111.219 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -67.33 -20.71 65.63 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.07 -1.877 . . . . 0.0 112.933 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.46 7.68 18.97 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.991 0.807 . . . . 0.0 110.997 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.47 22.49 77.78 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.674 -170.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -86.16 151.89 23.29 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -177.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -78.26 104.4 8.82 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 6' ' ' ILE . 13.6 t -127.57 117.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.699 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.9 110.96 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 111.302 -2.681 . . . . 0.0 106.752 158.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -85.88 97.67 10.35 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.65 19.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.142 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.46 -164.97 54.36 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.509 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.95 117.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 CA-C-N 113.144 -1.528 . . . . 0.0 109.0 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.07 83.74 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.898 -1.956 . . . . 0.0 107.991 -175.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 87.68 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.69 -1.596 . . . . 0.0 110.456 173.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -117.35 -147.67 0.41 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.072 -1.877 . . . . 0.0 107.678 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.67 ' CB ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -47.95 -50.89 25.71 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 124.315 1.01 . . . . 0.0 112.99 -176.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -52.28 -35.87 51.31 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.75 1.281 . . . . 0.0 113.348 -167.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -83.96 -31.55 25.5 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.918 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -38.11 56.28 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.079 1.419 . . . . 0.0 113.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.5 mt -49.64 -38.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 110.304 -3.135 . . . . 0.0 111.319 159.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -68.86 -28.83 67.06 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.479 1.112 . . . . 0.0 111.425 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.54 63.66 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 124.277 0.986 . . . . 0.0 110.362 167.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.23 68.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 115.865 -2.334 . . . . 0.0 113.911 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.19 -39.77 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.758 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.06 -50.32 13.35 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.11 -1.404 . . . . 0.0 112.973 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.501 ' HB ' HG21 ' A' ' 5' ' ' THR . 21.3 p -97.43 -29.21 13.63 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 125.338 1.649 . . . . 0.0 113.342 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 91.86 58.84 0.0 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 126.24 2.213 . . . . 0.0 109.326 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.39 122.97 22.93 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 109.97 -3.286 . . . . 0.0 110.68 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.48 -22.95 56.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.768 1.918 . . . . 0.0 110.5 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 57' ' ' LEU . 2.4 pt? -140.49 144.61 36.1 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 123.015 1.388 . . . . 0.0 111.783 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.539 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 62.8 mt -121.29 124.59 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 110.329 -3.123 . . . . 0.0 106.44 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.11 114.66 25.62 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.107 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.8 121.66 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.989 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.51 143.16 31.01 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.797 -2.456 . . . . 0.0 107.354 173.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -131.51 121.05 23.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.11 1.506 . . . . 0.0 109.124 -174.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.88 -66.56 0.69 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-N 111.945 -2.389 . . . . 0.0 110.634 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.02 -39.13 51.31 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.681 1.238 . . . . 0.0 107.705 168.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.11 48.44 0.09 OUTLIER Glycine 0 C--N 1.353 1.491 0 CA-C-N 111.182 -2.736 . . . . 0.0 110.182 -170.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -83.67 26.98 0.65 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.362 -0.919 . . . . 0.0 112.333 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.09 -27.4 52.93 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 113.801 -1.545 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -61.91 -27.79 69.06 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.075 -1.062 . . . . 0.0 110.927 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -89.11 -44.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.932 -1.94 . . . . 0.0 111.546 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.91 -56.14 4.74 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 122.917 1.341 . . . . 0.0 112.698 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.421 ' SG ' HG21 ' A' ' 90' ' ' VAL . 32.3 m -63.79 -25.95 68.41 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 110.658 -2.974 . . . . 0.0 112.255 -162.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -71.06 111.59 6.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.524 -1.671 . . . . 0.0 107.9 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 18.5 80.15 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 112.521 -2.127 . . . . 0.0 114.829 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 43' ' ' GLN . 21.8 tp -75.7 -25.84 57.02 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 117.562 0.681 . . . . 0.0 111.881 153.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -62.74 -45.12 94.21 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 118.62 -1.232 . . . . 0.0 110.924 165.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.43 2.1 pt-20 -77.28 -25.98 51.93 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 117.576 2.435 . . . . 0.0 117.576 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 64.9 mmtt -76.5 -29.73 56.92 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 125.684 1.865 . . . . 0.0 113.403 166.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.2 p -77.25 -32.64 55.84 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.337 1.541 . . . . 0.0 111.579 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -78.05 -33.14 51.14 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 110.522 -3.035 . . . . 0.0 111.234 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.342 22.0 mm-40 -73.38 -29.63 62.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.114 -2.312 . . . . 0.0 112.855 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.71 3.13 6.85 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.423 -1.717 . . . . 0.0 112.612 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.01 34.44 47.33 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB3' HD13 ' A' ' 86' ' ' ILE . 62.3 mt -137.88 61.26 1.6 Allowed 'General case' 0 C--N 1.348 0.505 0 CA-C-N 111.813 -2.193 . . . . 0.0 108.173 -172.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 123.01 33.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 112.757 -2.02 . . . . 0.0 108.754 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -25.0 2.52 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -64.95 124.72 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 111.78 -2.21 . . . . 0.0 111.123 173.592 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -93.7 150.06 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 108.551 -3.931 . . . . 0.0 107.842 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.539 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 73.4 mt -130.86 127.68 39.07 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 113.253 -1.794 . . . . 0.0 109.768 -168.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -107.82 143.12 36.83 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.817 -2.447 . . . . 0.0 106.911 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' SG ' ' A' ' 71' ' ' CYS . 14.1 p -136.29 123.66 33.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 O-C-N 124.053 0.846 . . . . 0.0 110.223 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.11 137.93 13.83 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.631 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 94' ' ' ILE . . . 138.81 -153.31 22.6 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 113.07 -1.565 . . . . 0.0 110.562 171.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -81.5 -33.63 31.76 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.143 -1.529 . . . . 0.0 110.317 170.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.414 HG23 ' C ' ' A' ' 92' ' ' GLY 0.266 5.2 pt 53.35 16.23 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 130.766 3.626 . . . . 0.0 113.344 170.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t -152.85 166.16 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.476 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.9 p -96.6 31.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 112.461 -2.154 . . . . 0.0 111.871 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.37 -59.88 4.07 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.689 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -61.8 113.78 2.96 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.711 -1.745 . . . . 0.0 110.337 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 92.71 126.57 0.02 OUTLIER 'General case' 0 C--N 1.354 0.801 0 O-C-N 126.164 2.165 . . . . 0.0 108.277 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -139.81 138.28 35.68 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.757 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.635 1.3 m-90 27.63 -79.92 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.869 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 -35.15 71.23 Favored 'Trans proline' 0 CA--C 1.55 1.311 0 CA-C-N 120.975 1.384 . . . . 0.0 114.919 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.31 -39.32 28.97 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.278 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.59 -40.4 71.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.266 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.07 -29.83 62.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.838 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -64.52 -36.78 85.32 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.358 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.4 -53.05 9.34 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.188 0.93 . . . . 0.0 111.032 -173.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.46 -53.32 36.75 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.153 -1.84 . . . . 0.0 110.725 -172.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.94 -28.77 67.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.267 -2.242 . . . . 0.0 112.633 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.22 91.27 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.07 0.856 . . . . 0.0 112.479 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -71.67 -18.42 62.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.437 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 137.02 -10.81 3.9 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.905 1.378 . . . . 0.0 113.865 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.05 136.8 18.36 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 121.614 0.721 . . . . 0.0 111.445 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.44 -63.13 1.41 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.152 -168.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -145.24 156.1 43.64 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.215 1.572 . . . . 0.0 110.841 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -117.6 113.95 44.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 111.427 -2.624 . . . . 0.0 108.847 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.28 137.96 24.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.77 177.68 0.13 Allowed 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.825 2.35 . . . . 0.0 115.655 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -80.84 115.27 3.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 N-CA-C 109.114 -1.148 . . . . 0.0 109.114 167.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.44 60.21 3.57 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.104 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.436 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -79.62 137.59 37.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.542 -1.829 . . . . 0.0 108.787 176.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.55 152.54 12.13 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.882 162.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.6 -20.27 8.14 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 120.662 0.908 . . . . 0.0 113.545 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -29.97 70.73 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.843 -1.526 . . . . 0.0 110.461 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.4 m -65.86 -40.15 91.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.885 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -79.3 -38.63 34.87 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 125.594 1.808 . . . . 0.0 109.719 -164.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.12 -44.06 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 110.607 -2.997 . . . . 0.0 109.794 -173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.96 63.49 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.051 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' THR 0.269 11.3 t70 -71.42 -28.78 64.23 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.778 168.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.489 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -65.17 -43.26 92.28 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 121.416 0.626 . . . . 0.0 110.991 177.254 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.39 -55.08 17.52 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.243 -1.799 . . . . 0.0 109.114 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -53.4 -34.2 56.82 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.903 -1.953 . . . . 0.0 114.669 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.4 -47.02 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.483 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' ' 130' ' ' MET . 94.0 mt -90.47 17.06 7.8 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.291 0.994 . . . . 0.0 112.318 -172.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.73 57.72 4.82 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.761 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -147.75 159.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 112.395 -1.903 . . . . 0.0 106.853 -174.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 CA--C 1.545 0.762 0 O-C-N 125.34 1.65 . . . . 0.0 110.982 -179.362 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.398 0.618 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 61.66 83.49 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.125 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 165.4 25.77 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 112.719 -2.037 . . . . 0.0 108.749 -173.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -107.41 109.88 21.71 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.266 -2.243 . . . . 0.0 107.137 167.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 53' ' ' THR . 30.6 m -89.76 131.02 35.93 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.057 173.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -110.14 122.95 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 CA-C-N 110.216 -3.175 . . . . 0.0 103.817 163.669 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.292 0.9 OUTLIER -100.05 141.03 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.867 0 CA-C-N 109.587 -3.46 . . . . 0.0 103.275 176.183 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -132.22 128.97 39.07 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 116.433 -2.107 . . . . 0.0 106.744 163.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -123.92 145.63 16.02 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 112.223 -2.262 . . . . 0.0 109.157 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' ' 16' ' ' HIS . 74.3 t -97.72 120.98 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 170.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.61 144.04 11.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 CA-C-N 112.688 -2.051 . . . . 0.0 108.779 -164.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.44 -146.64 18.22 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 110.19 -3.186 . . . . 0.0 105.844 -150.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -162.15 -148.07 0.14 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 113.887 -1.156 . . . . 0.0 108.421 -173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 73.83 -170.53 0.12 Allowed 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.599 1.187 . . . . 0.0 109.067 -171.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.81 28.34 1.37 Allowed 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.404 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' O ' HG11 ' A' ' 10' ' ' VAL . 13.4 m-70 -92.43 81.65 4.88 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.443 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.51 69.82 6.84 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.889 -1.96 . . . . 0.0 108.902 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.93 -30.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 112.539 -2.119 . . . . 0.0 111.949 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.78 3.47 62.81 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-N 113.626 -1.624 . . . . 0.0 111.495 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -133.04 51.76 2.13 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.296 -1.452 . . . . 0.0 108.438 -167.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -143.9 -31.42 0.46 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.578 -2.101 . . . . 0.0 111.813 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.0 -52.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.188 0.994 . . . . 0.0 109.228 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.26 -52.05 65.89 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 111.778 -2.464 . . . . 0.0 111.577 -167.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -53.59 -47.98 69.66 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.89 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -58.44 -45.27 88.84 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.27 1.606 . . . . 0.0 111.906 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -76.59 -26.76 55.37 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.953 -1.931 . . . . 0.0 111.945 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.85 -41.77 95.44 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.157 0.911 . . . . 0.0 110.588 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -37.67 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.215 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.3 -20.62 66.15 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 111.891 -2.413 . . . . 0.0 112.562 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.42 12.59 22.21 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.105 0.878 . . . . 0.0 110.17 -165.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.85 20.94 79.75 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.357 -1.747 . . . . 0.0 111.948 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.75 157.78 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 117.393 -1.723 . . . . 0.0 107.916 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -77.77 111.85 14.0 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 103.227 -2.879 . . . . 0.0 103.227 164.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.0 110.13 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 125.271 1.607 . . . . 0.0 108.926 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.81 110.6 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 110.761 -2.927 . . . . 0.0 105.103 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -96.67 97.87 9.71 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.402 -1.727 . . . . 0.0 107.033 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -36.94 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.179 -2.282 . . . . 0.0 109.22 -171.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -163.59 54.87 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 114.139 -1.392 . . . . 0.0 112.969 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.9 167.45 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 111.748 -2.226 . . . . 0.0 109.032 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 91.38 39.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.567 1.947 . . . . 0.0 110.164 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p 175.92 157.18 0.23 Allowed 'General case' 0 C--N 1.348 0.508 0 CA-C-N 112.675 -2.057 . . . . 0.0 108.395 -165.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -124.85 -172.38 2.56 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.307 -1.769 . . . . 0.0 109.967 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.694 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -58.29 -30.04 66.32 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -68.1 -29.03 67.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 124.57 1.168 . . . . 0.0 111.893 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.37 -33.58 58.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.342 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -76.46 -34.43 58.69 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 123.282 1.515 . . . . 0.0 112.905 -176.175 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.78 -42.0 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 109.739 -3.391 . . . . 0.0 111.217 160.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -71.15 -28.83 64.55 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.703 1.252 . . . . 0.0 111.748 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 53' ' ' THR . . . -71.51 -28.66 64.05 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 116.801 -1.571 . . . . 0.0 111.705 166.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.45 62.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 118.798 -1.161 . . . . 0.0 113.327 169.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.07 -36.67 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -73.12 -50.77 20.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.554 -1.657 . . . . 0.0 111.76 -171.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -90.66 -36.77 14.18 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 110.632 -2.985 . . . . 0.0 112.383 -167.787 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 83.09 79.66 0.03 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 111.536 -2.574 . . . . 0.0 109.671 -166.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.75 139.71 55.33 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.285 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -31.69 16.76 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.667 155.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pt? -140.5 145.04 36.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.156 1.455 . . . . 0.0 112.678 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 51.9 mt -124.92 127.36 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 110.492 -3.049 . . . . 0.0 106.401 177.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.26 141.09 46.39 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 113.336 -1.757 . . . . 0.0 109.687 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.56 121.49 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 111.626 -2.534 . . . . 0.0 105.689 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -115.18 114.83 25.78 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 124.979 1.425 . . . . 0.0 108.987 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.88 144.87 29.31 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.696 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' CG1' ' A' ' 10' ' ' VAL . 94.9 mt -81.97 -72.15 0.45 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.7 -2.5 . . . . 0.0 110.914 -163.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -41.04 61.73 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.06 27.61 0.06 OUTLIER Glycine 0 C--N 1.352 1.464 0 CA-C-N 112.199 -2.273 . . . . 0.0 111.31 -160.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -88.68 28.72 1.09 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.319 -0.941 . . . . 0.0 111.308 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.35 -35.45 26.43 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.31 166.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -49.78 74.13 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.979 -2.11 . . . . 0.0 109.367 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.22 -45.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 111.902 -2.408 . . . . 0.0 112.022 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.36 -56.73 4.22 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -27.64 46.35 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 113.334 -1.757 . . . . 0.0 114.034 -154.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -71.55 123.31 22.17 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.606 1.191 . . . . 0.0 110.74 -167.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.08 27.79 24.94 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-N 113.376 -1.738 . . . . 0.0 111.971 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 43' ' ' GLN . 20.3 tp -75.33 -25.41 57.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 125.64 1.435 . . . . 0.0 110.411 154.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.84 -46.97 86.45 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 117.604 -1.638 . . . . 0.0 109.567 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.365 18.4 mp0 -77.41 -26.25 51.52 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.279 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -76.15 -29.34 57.73 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.747 1.904 . . . . 0.0 113.265 168.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.24 -35.03 55.74 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 123.364 1.554 . . . . 0.0 110.655 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.81 -42.81 97.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 110.235 -3.166 . . . . 0.0 109.613 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.315 0.1 OUTLIER -73.12 -29.93 63.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 110.188 -3.187 . . . . 0.0 111.841 -177.433 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 1.49 10.42 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 112.165 -2.288 . . . . 0.0 112.562 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.93 37.83 37.54 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.0 mt -143.84 48.4 1.41 Allowed 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.642 -2.279 . . . . 0.0 108.646 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.19 114.83 24.15 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.457 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 152.57 -28.11 0.85 Allowed Glycine 0 C--N 1.344 1.027 0 CA-C-N 111.94 -2.391 . . . . 0.0 108.291 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.83 124.89 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 111.583 -2.308 . . . . 0.0 109.837 167.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -87.87 144.4 26.6 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 110.853 -2.885 . . . . 0.0 108.604 159.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 29.8 mt -118.26 135.17 54.43 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.323 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -107.86 151.2 26.08 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 111.302 -2.681 . . . . 0.0 107.518 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.25 123.89 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 113.067 -1.878 . . . . 0.0 108.316 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.11 18.21 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 114.164 -1.38 . . . . 0.0 113.187 -166.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.49 -141.16 20.28 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 112.339 -1.931 . . . . 0.0 111.529 170.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -81.83 88.29 6.33 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 112.631 -1.784 . . . . 0.0 107.902 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -27.56 10.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.769 1.293 . . . . 0.0 110.641 -176.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 96' ' ' VAL . 6.1 p -129.11 -157.24 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 159.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' H ' HG22 ' A' ' 95' ' ' VAL . 63.4 t -63.89 131.68 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 112.27 -2.241 . . . . 0.0 108.689 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.37 35.38 2.62 Favored Glycine 0 CA--C 1.54 1.615 0 CA-C-N 113.396 -1.729 . . . . 0.0 113.253 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -152.33 74.1 1.06 Allowed 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -145.31 -45.39 0.22 Allowed 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.495 -2.139 . . . . 0.0 110.044 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 55.76 77.08 0.25 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 112.774 -2.012 . . . . 0.0 110.319 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.49 ' HB3' HG23 ' A' ' 104' ' ' VAL . 10.0 p90 -79.45 131.56 64.83 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 111.801 -2.454 . . . . 0.0 114.954 -160.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.35 -21.56 5.3 Favored 'Trans proline' 0 CA--C 1.557 1.645 0 C-N-CA 121.487 1.458 . . . . 0.0 112.769 125.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.14 -52.37 7.85 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.023 -163.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 101' ' ' TRP . 48.0 t -69.41 -37.72 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.131 -1.849 . . . . 0.0 110.764 -169.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.35 -47.73 82.94 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.844 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -57.09 -35.01 68.89 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.527 1.142 . . . . 0.0 112.111 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -76.45 -52.16 10.38 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.166 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.66 -44.01 83.03 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.513 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -73.94 -28.98 61.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.442 -2.617 . . . . 0.0 111.937 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.05 74.79 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.492 1.12 . . . . 0.0 111.352 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mmt -74.7 -32.93 62.32 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.9 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.61 -50.64 0.11 Allowed Glycine 0 C--N 1.355 1.616 0 C-N-CA 117.374 -2.346 . . . . 0.0 113.384 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -48.84 146.35 3.29 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.394 -1.403 . . . . 0.0 113.774 -165.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.89 -62.94 1.42 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 111.619 -2.537 . . . . 0.0 109.805 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -145.26 156.18 43.68 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.337 -172.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.03 125.82 72.74 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.845 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -96.04 116.96 66.53 Favored Pre-proline 0 C--N 1.357 0.913 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.599 166.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.76 172.51 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 121.137 1.225 . . . . 0.0 114.513 167.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.86 118.49 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 120.861 1.041 . . . . 0.0 110.691 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.25 7.16 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.389 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 m -86.98 137.19 32.56 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.353 1.073 . . . . 0.0 109.288 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -58.17 167.2 1.7 Allowed Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.221 169.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.17 -15.81 7.62 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 120.994 1.129 . . . . 0.0 114.195 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -72.71 -29.67 63.56 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.035 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -66.76 -33.36 75.46 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.169 -1.832 . . . . 0.0 112.27 173.653 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.34 -33.11 43.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 126.507 2.379 . . . . 0.0 108.542 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.0 mt -75.17 -39.35 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 111.807 -2.451 . . . . 0.0 110.518 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.04 63.94 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.458 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 40.3 t0 -63.26 -55.39 25.27 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 116.568 -2.053 . . . . 0.0 112.47 172.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptp -67.49 -34.83 77.95 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.015 0.822 . . . . 0.0 111.786 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.97 -55.79 12.97 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.024 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.56 -37.1 84.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.4 p -78.65 -36.05 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.574 1.171 . . . . 0.0 112.453 -171.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.0 mt -85.4 -15.88 41.65 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.424 1.077 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.0 83.59 0.88 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.31 3.56 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 112.256 -1.972 . . . . 0.0 112.633 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 112.171 -2.286 . . . . 0.0 109.409 -177.223 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.5 mtp . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.707 0.765 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.02 140.75 32.73 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.485 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 165.27 11.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 112.849 -1.978 . . . . 0.0 107.738 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -116.88 109.92 17.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 108.431 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -89.97 134.25 34.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 111.145 -2.752 . . . . 0.0 107.755 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.49 139.5 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 C-N-CA 127.464 2.306 . . . . 0.0 105.05 173.336 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.68 HG13 HG21 ' A' ' 37' ' ' ILE 0.262 1.0 OUTLIER -117.45 134.97 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-N 108.949 -3.75 . . . . 0.0 104.945 -177.169 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.6 128.56 37.42 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 116.604 -2.038 . . . . 0.0 107.243 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.52 146.13 16.09 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 112.743 -2.026 . . . . 0.0 110.926 172.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.11 120.37 46.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 116.069 -2.253 . . . . 0.0 106.192 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -104.64 136.42 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 110.225 -3.17 . . . . 0.0 108.712 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.2 -75.08 1.76 Allowed Glycine 0 C--N 1.351 1.399 0 CA-C-N 111.664 -2.516 . . . . 0.0 109.512 -169.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -169.7 168.83 8.86 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 113.117 -1.542 . . . . 0.0 109.66 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.25 112.87 7.73 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 111.945 -2.388 . . . . 0.0 109.513 163.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -132.88 62.08 1.66 Allowed 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.449 -2.159 . . . . 0.0 106.179 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 71.1 137.34 0.04 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-N 111.063 -2.79 . . . . 0.0 109.824 -166.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.09 83.35 5.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 113.49 -1.687 . . . . 0.0 109.091 173.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.88 -66.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.672 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.15 -97.73 0.22 Allowed Glycine 0 CA--C 1.532 1.112 0 CA-C-N 111.349 -2.66 . . . . 0.0 107.898 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 t30 34.51 -96.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 112.48 -1.86 . . . . 0.0 114.763 165.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -72.63 -41.61 65.34 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.185 1.553 . . . . 0.0 111.663 -169.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.02 -38.4 82.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 CA-C-N 112.846 -1.979 . . . . 0.0 109.862 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.96 -42.52 60.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 110.452 -3.067 . . . . 0.0 111.864 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -57.68 -56.29 23.86 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.888 -1.506 . . . . 0.0 112.402 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -53.4 -46.72 69.82 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 125.656 1.847 . . . . 0.0 112.192 -165.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.308 -2.224 . . . . 0.0 112.039 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.4 m-30 -70.91 -33.41 70.51 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -36.98 78.81 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.196 -1.82 . . . . 0.0 109.395 176.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.44 -20.59 64.65 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.017 -1.902 . . . . 0.0 112.825 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.23 2.67 56.19 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 123.877 0.736 . . . . 0.0 110.019 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.77 19.93 79.75 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.635 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.56 142.99 27.43 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.337 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.98 104.46 8.56 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.8 t -127.09 132.93 69.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.929 -165.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.65 115.57 25.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 111.683 -2.508 . . . . 0.0 107.799 -162.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.98 97.93 10.53 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.324 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.68 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -75.04 -25.77 18.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.383 -2.189 . . . . 0.0 111.807 -169.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.42 139.46 2.98 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 113.987 -1.46 . . . . 0.0 109.969 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.77 127.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 168.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.05 101.98 0.05 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.227 -160.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -164.21 177.03 8.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.915 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 m -158.94 172.28 18.5 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.11 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -48.08 -28.79 3.07 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 112.79 -2.004 . . . . 0.0 115.84 -161.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.12 -36.55 82.16 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.943 0.777 . . . . 0.0 111.843 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.95 -41.38 78.11 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 113.677 -1.601 . . . . 0.0 112.078 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 1.3 m-85 -76.23 -33.48 59.22 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-O 122.388 1.089 . . . . 0.0 113.439 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.86 -49.43 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 110.904 -2.862 . . . . 0.0 110.234 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.337 1.648 . . . . 0.0 111.919 -166.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.89 61.42 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 124.991 1.432 . . . . 0.0 110.287 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.36 64.33 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 116.791 -1.964 . . . . 0.0 112.963 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.05 -41.66 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.918 171.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -50.51 13.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.965 -167.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -97.95 -25.7 14.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 125.664 1.853 . . . . 0.0 113.4 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 97.89 62.3 0.0 OUTLIER 'General case' 0 C--N 1.343 0.321 0 O-C-N 126.334 2.271 . . . . 0.0 110.547 164.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.97 125.92 20.58 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 111.866 -2.424 . . . . 0.0 111.951 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.17 -28.96 18.57 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 112.139 -2.301 . . . . 0.0 108.181 157.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pt? -140.53 145.07 36.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.322 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 42.8 mt -126.19 123.15 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.275 -2.693 . . . . 0.0 106.793 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.64 140.06 47.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.777 -2.011 . . . . 0.0 108.526 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 121.97 63.11 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 111.659 -2.519 . . . . 0.0 107.344 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.5 112.59 24.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.405 -2.18 . . . . 0.0 105.77 174.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -135.25 109.85 8.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.261 -2.245 . . . . 0.0 106.997 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp -154.78 52.4 0.64 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-N 113.061 -1.881 . . . . 0.0 111.466 -142.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -152.46 7.1 0.43 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.979 -2.373 . . . . 0.0 111.694 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.78 13.65 62.37 Favored Glycine 0 C--N 1.355 1.592 0 O-C-N 123.859 0.724 . . . . 0.0 113.59 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -135.35 37.61 2.94 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.54 -21.37 78.74 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 111.86 -2.427 . . . . 0.0 112.606 -168.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.16 -34.8 37.31 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 112.509 -1.846 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.93 -44.2 92.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.748 -2.024 . . . . 0.0 110.887 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.33 -41.97 38.45 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.597 1.186 . . . . 0.0 113.376 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.74 -44.12 51.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.971 -165.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.54 133.69 55.47 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.97 1.419 . . . . 0.0 111.801 -172.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.21 12.09 71.27 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 112.505 -2.134 . . . . 0.0 112.765 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.4 -25.64 57.75 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.428 0.722 . . . . 0.0 110.266 154.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -54.07 -57.27 11.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.579 1.175 . . . . 0.0 109.814 168.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.471 7.3 tp10 -77.48 -25.9 50.83 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 93.0 mttt -76.28 -29.41 57.4 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.033 1.458 . . . . 0.0 113.605 168.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.61 -42.66 51.19 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 123.999 1.857 . . . . 0.0 109.788 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.264 14.1 m-20 -73.59 -26.9 61.02 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 109.245 -3.616 . . . . 0.0 111.658 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.318 25.7 mm-40 -73.67 -33.62 64.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 113.201 -1.818 . . . . 0.0 113.561 167.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.86 6.38 3.34 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.326 -1.761 . . . . 0.0 113.144 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.08 33.32 36.69 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.71 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB3' HD13 ' A' ' 86' ' ' ILE . 42.1 mt -135.86 62.62 1.62 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-N 112.227 -1.987 . . . . 0.0 107.202 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 115.94 28.19 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.675 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.27 -24.4 1.72 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.487 -171.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -64.92 124.73 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 111.632 -2.284 . . . . 0.0 109.004 166.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 136.42 33.14 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 110.601 -3.0 . . . . 0.0 107.805 161.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.564 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -110.35 134.61 52.13 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.966 1.365 . . . . 0.0 111.12 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.89 142.91 37.25 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 110.412 -3.086 . . . . 0.0 108.735 166.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.33 123.73 33.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 112.509 -2.132 . . . . 0.0 108.052 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.95 151.99 23.85 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.397 -172.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.61 -147.35 18.27 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.135 -2.032 . . . . 0.0 109.205 176.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -77.92 87.93 4.11 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 123.053 1.406 . . . . 0.0 107.942 166.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.51 -34.22 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 110.462 -3.063 . . . . 0.0 111.938 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.2 t -134.4 169.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.0 p -88.05 49.74 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.084 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.75 -48.92 1.82 Allowed Glycine 0 C--N 1.353 1.523 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.606 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.94 167.83 12.96 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.214 -1.493 . . . . 0.0 110.845 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 72.44 134.18 0.04 OUTLIER 'General case' 0 C--N 1.353 0.734 0 CA-C-N 112.361 -2.199 . . . . 0.0 111.124 172.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -137.49 127.2 25.37 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.063 -1.88 . . . . 0.0 108.151 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.58 3.0 m-90 35.56 -80.5 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.69 0 C-N-CA 129.452 3.101 . . . . 0.0 118.11 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.08 -35.23 25.44 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 N-CA-C 115.581 1.339 . . . . 0.0 115.581 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.25 -48.51 12.96 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.45 -1.705 . . . . 0.0 111.957 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.97 -59.14 4.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.453 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.57 -27.75 66.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.921 -2.399 . . . . 0.0 111.884 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.06 -40.77 64.23 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 118.467 -1.293 . . . . 0.0 112.023 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -75.31 -53.06 9.39 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.507 1.13 . . . . 0.0 111.886 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -64.61 -48.31 75.38 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.88 -173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -68.92 -28.55 66.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.406 -2.179 . . . . 0.0 112.076 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.15 70.83 Favored 'General case' 0 C--N 1.357 0.935 0 O-C-N 124.002 0.814 . . . . 0.0 112.023 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.5 mmt -67.9 -46.89 70.34 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.362 1.039 . . . . 0.0 109.709 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.63 -2.27 0.77 Allowed Glycine 0 C--N 1.353 1.517 0 CA-C-N 113.183 -1.826 . . . . 0.0 113.024 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -52.12 146.24 9.22 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-O 121.945 0.878 . . . . 0.0 111.34 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.86 -74.78 0.12 Allowed 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.428 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -145.02 156.33 43.87 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 124.21 0.944 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.85 138.76 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.623 -174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -104.94 147.34 34.32 Favored Pre-proline 0 C--N 1.36 1.06 0 O-C-N 124.873 1.358 . . . . 0.0 111.621 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -63.89 -179.93 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 121.978 1.786 . . . . 0.0 113.326 171.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.92 121.9 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.565 1.51 . . . . 0.0 110.501 166.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.5 63.57 1.84 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.398 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.44 40.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.406 -2.397 . . . . 0.0 108.886 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -49.97 157.2 1.13 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.697 163.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.422 ' O ' HG13 ' A' ' 127' ' ' ILE . 74.4 Cg_endo -76.77 -31.84 3.83 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 O-C-N 122.701 0.842 . . . . 0.0 110.591 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -30.71 51.88 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.183 1.552 . . . . 0.0 113.56 -170.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.01 -38.61 79.35 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.093 -178.181 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.4 m -79.55 -31.34 41.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 O-C-N 126.796 2.56 . . . . 0.0 110.112 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -75.4 -40.78 42.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 113.016 -1.902 . . . . 0.0 110.682 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.95 64.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.907 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 28.8 t0 -61.73 -55.51 29.48 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 115.751 -2.379 . . . . 0.0 113.396 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.3 ptp -73.06 -28.9 62.58 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -69.91 -53.07 19.61 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 125.124 1.515 . . . . 0.0 109.194 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.001 -1.454 . . . . 0.0 114.085 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.84 -47.06 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.738 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.9 mt -90.17 3.8 52.38 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.477 1.11 . . . . 0.0 112.649 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.2 72.19 0.88 Allowed Glycine 0 C--N 1.354 1.535 0 O-C-N 124.024 0.827 . . . . 0.0 111.432 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -148.38 158.62 7.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.009 -172.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.994 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 121.645 0.736 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -72.46 -53.22 12.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.647 -1.615 . . . . 0.0 109.827 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 165.36 25.86 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 112.83 -1.986 . . . . 0.0 108.378 176.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -117.05 120.78 39.4 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.03 171.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -93.61 131.51 38.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 110.695 -2.957 . . . . 0.0 107.415 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -132.02 122.8 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 35' ' ' VAL 0.3 2.1 t -100.01 123.94 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 1 CA-C-N 108.0 -4.182 . . . . 0.0 104.204 -175.882 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.18 128.91 39.01 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.652 -2.019 . . . . 0.0 108.129 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.11 146.02 16.13 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 111.143 -2.753 . . . . 0.0 108.858 170.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -97.18 120.44 46.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 116.74 -1.984 . . . . 0.0 106.775 168.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -107.63 144.17 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 110.377 -3.101 . . . . 0.0 109.139 -166.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . 129.21 136.9 4.19 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-N 110.843 -2.889 . . . . 0.0 106.742 -170.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.39 93.37 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 O-C-N 125.712 1.478 . . . . 0.0 110.889 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -174.54 172.36 3.12 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.607 -2.088 . . . . 0.0 109.294 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -127.66 30.94 5.24 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.749 -2.023 . . . . 0.0 109.812 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -87.59 113.88 23.68 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.239 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -2.59 24.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.428 -1.715 . . . . 0.0 112.987 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.89 141.31 18.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 O-C-N 124.244 0.965 . . . . 0.0 109.214 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.59 79.78 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.364 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -170.37 45.65 0.03 OUTLIER 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.497 -1.352 . . . . 0.0 107.836 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -140.72 -40.55 0.41 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.184 -2.28 . . . . 0.0 109.03 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.49 -27.17 2.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.689 172.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.74 -44.22 90.85 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.558 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.5 -35.66 81.67 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 111.817 -2.447 . . . . 0.0 112.117 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -53.8 -41.98 67.87 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 125.983 2.052 . . . . 0.0 112.864 -162.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -75.32 -30.66 60.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 125.584 1.803 . . . . 0.0 112.338 -171.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -66.78 -39.8 87.95 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.908 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -34.74 78.56 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.906 -1.952 . . . . 0.0 110.368 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.84 -20.71 63.41 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.917 -1.947 . . . . 0.0 112.563 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.07 12.19 14.15 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 124.066 0.854 . . . . 0.0 110.458 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.19 20.56 76.66 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.384 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -91.29 155.01 18.85 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -174.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.63 104.75 12.26 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 116.847 -1.941 . . . . 0.0 106.038 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 14.0 t -127.16 116.18 43.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.667 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.94 115.73 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 109.989 -3.278 . . . . 0.0 107.26 167.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -85.86 97.9 10.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.297 -2.229 . . . . 0.0 105.742 166.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.68 -18.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 112.685 -2.052 . . . . 0.0 110.855 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.95 -174.91 30.63 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.922 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' A' ' 10' ' ' VAL . 2.5 p -80.93 132.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.613 -1.793 . . . . 0.0 109.562 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.51 -139.23 0.07 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-N 111.283 -2.69 . . . . 0.0 110.174 163.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.493 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 59.8 p -166.6 15.97 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.565 1.166 . . . . 0.0 112.219 -168.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 t -159.67 152.53 21.66 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 125.06 2.362 . . . . 0.0 112.867 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.8 -28.85 66.36 Favored 'General case' 0 C--O 1.217 -0.625 1 CA-C-N 107.985 -4.188 . . . . 0.0 111.881 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.55 -37.95 58.8 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.374 1.046 . . . . 0.0 112.925 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -88.93 -34.59 16.86 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.406 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -38.21 56.63 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.325 1.059 . . . . 0.0 111.398 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.87 -32.76 53.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 CA-C-N 111.701 -2.5 . . . . 0.0 110.612 165.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -61.77 -36.73 81.91 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 118.571 -1.252 . . . . 0.0 110.881 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.58 62.64 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 112.095 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.21 66.23 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 115.598 -2.441 . . . . 0.0 113.398 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.58 -39.02 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.329 173.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -50.47 24.52 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.709 1.256 . . . . 0.0 112.826 -171.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 p -101.49 -28.98 12.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 125.569 1.793 . . . . 0.0 114.153 -171.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 89.48 72.67 0.01 OUTLIER 'General case' 0 C--N 1.342 0.264 0 O-C-N 125.988 2.055 . . . . 0.0 109.809 173.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.77 133.24 54.03 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 109.988 -3.278 . . . . 0.0 111.237 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.22 -31.65 16.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.097 162.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.23 144.86 36.74 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.114 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.534 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.7 mt -124.5 128.07 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 111.387 -2.642 . . . . 0.0 106.996 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 56.2 m -115.0 136.42 53.14 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 111.148 -2.751 . . . . 0.0 109.299 -172.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.25 121.8 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 110.669 -2.968 . . . . 0.0 106.298 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -109.09 115.06 29.32 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.618 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' ILE . 27.1 m -100.72 117.09 34.12 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.939 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 mt -80.11 -34.74 37.67 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 112.097 -2.319 . . . . 0.0 108.682 163.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.8 t80 90.63 59.73 0.0 OUTLIER 'General case' 0 C--N 1.351 0.647 0 CA-C-N 111.205 -2.725 . . . . 0.0 109.111 -172.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -25.58 59.23 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 111.121 -2.763 . . . . 0.0 109.229 150.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 167.62 81.06 0.0 OUTLIER 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.643 2.377 . . . . 0.0 105.84 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.13 -45.28 8.32 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 112.844 -1.98 . . . . 0.0 112.166 -170.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.07 -36.17 35.96 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.874 -1.163 . . . . 0.0 111.533 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.65 -44.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.362 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.26 -31.97 55.29 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.963 -1.471 . . . . 0.0 112.984 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.9 p -78.18 -26.69 47.73 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.997 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -75.78 125.74 29.66 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.539 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.63 20.39 56.39 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.876 -1.965 . . . . 0.0 112.666 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.7 -25.84 57.05 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 124.48 0.753 . . . . 0.0 112.032 163.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -54.49 46.36 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.36 169.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.409 31.6 tt0 -77.51 -26.25 51.0 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 118.717 2.858 . . . . 0.0 118.717 -176.331 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.313 39.5 mttp -76.22 -29.14 57.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.368 1.667 . . . . 0.0 112.659 165.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 86' ' ' ILE . 49.4 t -73.9 -39.74 63.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 123.959 1.837 . . . . 0.0 109.925 173.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.65 -37.44 87.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 109.789 -3.368 . . . . 0.0 110.911 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.293 3.5 pt-20 -73.2 -32.06 64.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.205 -2.725 . . . . 0.0 112.421 178.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 3.79 6.27 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 111.908 -2.405 . . . . 0.0 112.819 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.21 45.72 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.653 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' A' ' 86' ' ' ILE . 40.8 mt -133.63 69.66 1.47 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 112.043 -2.078 . . . . 0.0 107.139 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -98.92 117.24 32.98 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.356 -2.202 . . . . 0.0 108.008 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.16 -24.88 2.22 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 108.159 -1.977 . . . . 0.0 108.159 -172.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.8 mp -65.01 124.72 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 111.635 -2.283 . . . . 0.0 109.188 166.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' C ' HD23 ' A' ' 88' ' ' LEU . 47.3 mmtm -110.82 138.51 47.13 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 110.566 -3.015 . . . . 0.0 108.027 168.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.569 HD21 ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -109.82 133.64 52.93 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-O 124.17 1.938 . . . . 0.0 111.277 -167.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -107.87 129.93 55.04 Favored 'General case' 0 N--CA 1.45 -0.461 1 CA-C-N 108.076 -4.147 . . . . 0.0 106.84 171.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 123.8 34.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.094 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.27 152.01 20.48 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.838 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 94' ' ' ILE . . . 118.75 -152.08 17.5 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.952 -2.124 . . . . 0.0 110.605 170.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.15 83.7 6.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 112.718 -1.741 . . . . 0.0 108.057 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 4.6 pt -94.44 -3.14 10.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.954 -1.93 . . . . 0.0 113.65 -162.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.0 t -129.44 166.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 96' ' ' VAL . 13.8 p -71.17 88.73 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 112.023 -2.353 . . . . 0.0 111.721 -171.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.58 -96.83 0.31 Allowed Glycine 0 C--N 1.352 1.472 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.088 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 132.69 54.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 112.582 -1.809 . . . . 0.0 110.325 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.1 pt20 -168.09 126.97 1.22 Allowed 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.111 -2.313 . . . . 0.0 108.345 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -116.12 -27.25 6.96 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.214 -1.357 . . . . 0.0 114.132 -157.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.675 1.2 m-90 94.37 -63.04 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.29 -33.9 97.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 121.231 1.475 . . . . 0.0 114.136 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -80.21 -37.78 32.47 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.324 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.44 -43.31 56.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.01 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.01 -27.93 61.19 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.393 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -57.58 -48.15 80.16 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.371 1.044 . . . . 0.0 111.176 172.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -74.21 -53.14 10.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.661 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -61.04 -49.5 77.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.737 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.46 -28.94 65.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.297 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.1 -31.76 72.45 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.453 1.096 . . . . 0.0 111.73 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.0 mmt -78.03 -21.6 50.48 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 124.599 1.187 . . . . 0.0 111.348 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.3 -15.77 0.87 Allowed Glycine 0 C--N 1.356 1.681 0 C-N-CA 119.305 -1.426 . . . . 0.0 114.338 165.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -59.03 132.03 52.8 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.716 1.246 . . . . 0.0 111.799 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -71.61 -47.41 54.81 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 111.672 -2.513 . . . . 0.0 109.251 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -145.03 137.76 26.27 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.218 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.2 t -123.27 113.7 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 112.131 -2.304 . . . . 0.0 108.628 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' HG21 ' A' ' 121' ' ' THR . 44.4 m-85 -86.24 146.04 41.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.544 -1.207 . . . . 0.0 112.105 177.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.44 179.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 123.562 2.841 . . . . 0.0 116.872 -175.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.4 113.15 1.8 Allowed 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 121.7 1.6 . . . . 0.0 112.57 170.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.89 81.37 0.08 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.159 -1.837 . . . . 0.0 112.659 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -102.05 137.47 40.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.268 -1.466 . . . . 0.0 110.868 -175.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.67 161.03 0.42 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 111.66 -2.518 . . . . 0.0 111.356 162.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.07 -19.55 5.64 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.26 1.307 . . . . 0.0 113.916 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.03 -29.78 62.09 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.132 -171.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -62.88 -38.49 91.09 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.278 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 m -79.61 -31.63 41.72 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.706 2.504 . . . . 0.0 109.818 -170.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.27 -43.59 43.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.153 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.39 -30.87 63.56 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 173.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.304 29.5 t70 -69.76 -28.67 65.96 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 126.146 2.154 . . . . 0.0 112.259 168.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.464 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -72.22 -36.95 69.29 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.063 173.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -65.58 -50.29 65.68 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.962 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.5 -57.02 14.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.65 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.7 -47.21 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.867 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.454 HD12 ' SD ' ' A' ' 130' ' ' MET . 63.6 mt -89.36 10.81 21.06 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.546 1.154 . . . . 0.0 111.685 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.45 68.54 1.61 Allowed Glycine 0 C--N 1.357 1.706 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.854 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -145.32 3.13 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.949 -1.625 . . . . 0.0 113.793 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.912 -170.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptm . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.743 0.782 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -159.9 -53.31 0.06 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.275 -1.784 . . . . 0.0 108.421 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -108.56 165.27 11.66 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.668 -2.06 . . . . 0.0 108.687 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 109.97 21.86 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 111.957 -2.383 . . . . 0.0 106.906 167.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 53' ' ' THR . 98.7 m -89.16 134.3 34.07 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.973 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -111.31 122.93 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.93 -3.305 . . . . 0.0 103.857 162.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.571 HG13 HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -100.03 143.25 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 CA-C-N 109.862 -3.335 . . . . 0.0 105.136 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.35 128.71 38.25 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.283 -1.767 . . . . 0.0 107.597 164.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 145.72 16.07 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.538 -2.574 . . . . 0.0 109.203 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -97.59 120.37 46.84 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 117.522 -1.671 . . . . 0.0 107.28 170.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tt -99.05 141.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 112.166 -2.288 . . . . 0.0 108.696 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . 73.88 95.97 0.1 Allowed Glycine 0 CA--C 1.533 1.188 0 CA-C-N 111.208 -2.724 . . . . 0.0 108.314 -160.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -63.2 162.1 12.5 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 112.646 -1.777 . . . . 0.0 112.122 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -149.37 175.1 11.74 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 110.559 -3.018 . . . . 0.0 106.611 174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -82.11 -36.33 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.693 170.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -98.7 -155.02 0.48 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.728 -2.033 . . . . 0.0 108.38 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.7 81.7 0.19 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.56 1.162 . . . . 0.0 112.05 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.34 -14.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.952 -1.931 . . . . 0.0 111.44 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.49 -32.33 19.57 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.829 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 p30 48.46 103.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.059 1.744 . . . . 0.0 112.963 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' A' ' 120' ' ' GLY . 33.3 ttpt 67.04 -104.41 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.095 171.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.59 8.44 2.07 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 124.271 0.982 . . . . 0.0 111.382 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.06 -52.64 13.55 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.798 -143.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.88 -48.75 77.63 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 114.099 -1.41 . . . . 0.0 112.191 -167.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -46.95 -53.48 12.22 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 125.977 2.048 . . . . 0.0 112.768 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -78.22 -26.75 47.52 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 111.864 -2.426 . . . . 0.0 111.736 -172.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.629 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.7 m-30 -70.22 -36.89 74.85 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.032 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -35.87 79.35 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.421 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.35 -20.68 66.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.763 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.09 8.68 44.41 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 123.943 0.777 . . . . 0.0 110.145 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.03 79.67 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 113.818 -1.537 . . . . 0.0 112.148 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.39 139.72 30.74 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -77.99 104.87 8.82 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.629 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.0 t -125.92 108.74 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.756 -1.565 . . . . 0.0 107.992 -165.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -102.87 120.72 53.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-N 110.449 -3.069 . . . . 0.0 107.662 -176.551 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.81 100.08 11.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 112.897 -1.956 . . . . 0.0 106.594 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.78 -29.39 33.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.86 -166.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.42 171.88 13.13 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.944 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.38 125.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 111.637 -2.282 . . . . 0.0 107.799 167.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 tp -163.65 145.4 9.35 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 113.868 -1.515 . . . . 0.0 108.919 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 97.5 p -66.9 0.66 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.737 -2.483 . . . . 0.0 114.476 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -150.45 148.13 28.38 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.922 3.248 . . . . 0.0 115.463 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 47' ' ' ILE . 10.6 mt-30 -50.87 -28.8 10.32 Favored 'General case' 0 C--O 1.214 -0.794 1 CA-C-N 106.154 -5.021 . . . . 0.0 111.492 170.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -37.59 50.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.98 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -83.44 -29.12 28.32 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.728 1.267 . . . . 0.0 111.755 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.02 -41.19 51.75 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -69.42 -32.73 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.808 168.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -63.78 -28.57 69.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 117.125 -1.83 . . . . 0.0 111.882 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.779 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.18 -28.67 65.51 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.834 165.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -73.7 -30.46 62.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 170.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.26 -33.42 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -75.29 -50.82 14.87 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.643 -1.617 . . . . 0.0 112.071 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -87.38 -37.67 16.86 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 110.91 -2.859 . . . . 0.0 111.82 -167.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 53' ' ' THR . 53.4 mttp 82.88 79.92 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 111.734 -2.485 . . . . 0.0 110.177 -168.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.37 141.6 39.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 112.081 -2.327 . . . . 0.0 111.996 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.51 -31.3 16.81 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.012 -1.903 . . . . 0.0 110.095 154.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.6 pt? -140.44 145.1 36.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 122.883 1.325 . . . . 0.0 112.558 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.1 mt -124.48 130.61 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 111.087 -2.778 . . . . 0.0 107.012 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.53 141.11 48.15 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.245 -1.798 . . . . 0.0 110.356 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.67 126.58 65.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 CA-C-N 111.356 -2.656 . . . . 0.0 107.296 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 112.93 23.95 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.462 -1.699 . . . . 0.0 108.885 -175.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -101.38 121.41 41.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.749 -2.023 . . . . 0.0 108.963 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.74 52.25 0.06 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.324 -2.216 . . . . 0.0 108.041 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -138.91 -32.94 0.66 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.235 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.6 -53.01 0.06 OUTLIER Glycine 0 C--N 1.355 1.604 0 C-N-CA 119.626 -1.273 . . . . 0.0 111.642 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -179.71 105.04 0.03 OUTLIER 'General case' 0 C--N 1.354 0.772 0 CA-C-O 122.573 1.178 . . . . 0.0 109.732 -170.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.36 -27.81 56.88 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 112.546 -2.115 . . . . 0.0 114.496 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.18 -33.89 68.02 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 122.911 1.339 . . . . 0.0 110.017 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.43 -44.04 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 111.156 -2.747 . . . . 0.0 110.556 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.85 -56.05 5.04 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.978 -1.465 . . . . 0.0 112.533 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.5 p -78.22 -26.7 47.53 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 112.276 -2.238 . . . . 0.0 114.236 -159.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.42 127.99 34.96 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.026 0.917 . . . . 0.0 111.104 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.38 14.51 27.82 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.63 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -31.27 59.59 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.577 0.81 . . . . 0.0 111.876 159.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -40.79 98.7 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 115.877 -2.329 . . . . 0.0 109.822 173.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.36 20.0 tp10 -77.79 -26.77 49.92 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -76.45 -29.94 57.15 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 124.899 1.375 . . . . 0.0 112.822 165.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 14.0 t -77.58 -29.02 51.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 123.628 1.68 . . . . 0.0 112.297 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.02 -42.95 62.67 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 110.986 -2.824 . . . . 0.0 109.235 172.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 34.8 mt-10 -73.24 -29.57 62.86 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 109.58 -3.464 . . . . 0.0 113.289 -176.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.7 -2.95 25.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 113.085 -1.871 . . . . 0.0 112.663 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 21.78 75.66 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.467 -171.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 50' ' ' ALA . 35.8 mt -108.53 23.33 14.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.724 -1.738 . . . . 0.0 109.875 -175.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.7 114.44 9.79 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 122.466 1.127 . . . . 0.0 110.407 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.6 -30.47 0.76 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 111.887 -2.415 . . . . 0.0 107.925 -172.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.6 mp -64.95 129.7 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 111.46 -2.37 . . . . 0.0 110.25 167.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -94.02 144.34 25.55 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 110.346 -3.115 . . . . 0.0 109.159 161.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.9 mt -115.27 135.22 54.39 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 122.88 1.324 . . . . 0.0 112.249 -172.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -107.93 146.29 32.6 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 110.97 -2.832 . . . . 0.0 108.165 166.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.47 123.97 33.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.839 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.7 152.07 18.78 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 124.153 0.908 . . . . 0.0 112.425 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.48 17.01 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 112.267 -1.967 . . . . 0.0 111.031 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -89.49 84.73 6.41 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.054 -1.573 . . . . 0.0 108.637 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 116' ' ' VAL . 10.1 pt -105.34 -26.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.941 -167.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.534 HG22 ' H ' ' A' ' 96' ' ' VAL . 7.5 p -93.0 -152.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.534 ' H ' HG22 ' A' ' 95' ' ' VAL . 22.0 t -79.32 79.65 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 112.866 -1.97 . . . . 0.0 108.866 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.95 -90.05 0.68 Allowed Glycine 0 C--N 1.353 1.496 0 CA-C-N 112.791 -2.004 . . . . 0.0 110.514 -172.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -166.52 90.8 0.42 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.917 -2.141 . . . . 0.0 107.929 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.58 -101.07 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 112.783 -2.008 . . . . 0.0 111.335 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -157.02 97.04 1.64 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.707 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.5 m-90 -18.32 -50.42 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 121.005 3.705 . . . . 0.0 121.005 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 CA-C-N 120.559 1.235 . . . . 0.0 114.589 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.17 -36.88 34.39 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.959 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.86 -41.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 124.021 0.826 . . . . 0.0 111.04 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.02 -28.16 61.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.122 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.34 -34.98 78.89 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 118.856 -1.138 . . . . 0.0 111.59 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.81 -53.11 12.39 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.637 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -75.09 -28.96 60.49 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.785 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -81.03 -31.97 34.31 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.837 1.335 . . . . 0.0 111.421 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.83 -28.01 69.26 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.729 1.268 . . . . 0.0 111.126 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.6 mmt -80.29 -44.42 19.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.374 -1.739 . . . . 0.0 110.391 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 153.88 -22.96 0.7 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 119.759 -1.21 . . . . 0.0 114.904 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -69.53 115.94 9.36 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 121.393 0.616 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -53.43 -47.26 69.81 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.371 -171.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.27 156.08 43.61 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.497 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 94' ' ' ILE . 88.9 t -119.36 131.8 70.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 112.115 -2.311 . . . . 0.0 109.527 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.84 137.57 19.83 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 124.948 1.405 . . . . 0.0 109.847 161.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -64.08 -178.11 0.56 Allowed 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 121.861 1.707 . . . . 0.0 113.314 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.57 123.3 2.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.656 1.57 . . . . 0.0 108.929 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.479 ' H ' ' HD2' ' A' ' 21' ' ' LYS . . . 92.74 47.86 3.08 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.825 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.5 m -102.04 137.4 40.37 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.1 -1.55 . . . . 0.0 108.782 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -56.3 162.59 3.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 O-C-N 125.353 1.658 . . . . 0.0 110.262 163.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.07 -14.62 8.43 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.148 1.232 . . . . 0.0 114.018 170.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.96 -29.73 65.81 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.746 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -67.04 -36.07 81.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 112.944 -1.935 . . . . 0.0 112.437 175.325 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 6.2 m -79.45 -33.31 42.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.218 2.199 . . . . 0.0 108.775 -171.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.96 -41.16 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 112.013 -2.358 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.95 63.87 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 125.301 1.626 . . . . 0.0 110.427 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 60.5 t0 -62.47 -55.16 30.25 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.337 -2.21 . . . . 0.0 112.013 171.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.1 ptp -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.49 -57.1 10.15 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.077 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -63.49 -33.74 76.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.295 -1.775 . . . . 0.0 113.997 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.2 t -71.15 -43.03 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.848 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.18 3.52 23.37 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.329 1.018 . . . . 0.0 111.791 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.61 53.9 4.16 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.036 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.0 160.71 23.19 Favored 'Isoleucine or valine' 0 C--N 1.349 0.568 0 CA-C-N 112.497 -1.852 . . . . 0.0 106.477 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.527 178.036 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 77.37 -75.02 0.06 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.487 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.95 165.35 11.26 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.246 -1.797 . . . . 0.0 106.998 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.98 109.79 20.56 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.563 -1.653 . . . . 0.0 107.092 167.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 53' ' ' THR . 78.9 m -95.31 133.14 39.55 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.215 166.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.45 129.8 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.947 0 CA-C-N 109.744 -3.389 . . . . 0.0 104.39 162.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.633 HG13 HG21 ' A' ' 37' ' ' ILE 0.252 1.1 t -110.25 134.62 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 CA-C-N 110.498 -3.046 . . . . 0.0 104.979 -175.638 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.52 128.56 37.58 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 115.4 -2.52 . . . . 0.0 109.474 171.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.31 145.86 16.02 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 111.684 -2.507 . . . . 0.0 111.001 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.62 120.3 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 117.309 -1.756 . . . . 0.0 106.955 165.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -96.85 144.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 112.238 -2.255 . . . . 0.0 108.649 -170.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.34 -103.5 2.18 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 111.643 -2.526 . . . . 0.0 108.422 -166.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m -160.99 17.09 0.11 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 125.504 1.355 . . . . 0.0 112.318 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 60.08 85.06 0.11 Allowed 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.503 1.127 . . . . 0.0 111.923 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.7 m -93.46 -61.1 1.62 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.455 165.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -98.57 -174.56 2.84 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 111.997 -2.365 . . . . 0.0 107.357 167.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.74 68.43 0.19 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.512 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 p -80.37 88.68 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 112.716 -2.038 . . . . 0.0 108.6 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 111.933 -2.394 . . . . 0.0 110.901 -172.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -157.15 58.53 0.52 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.683 0.872 . . . . 0.0 110.283 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -145.58 -46.52 0.21 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 113.538 -1.664 . . . . 0.0 109.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.404 ' C ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -123.66 -35.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.985 -1.916 . . . . 0.0 108.749 174.392 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 23' ' ' LEU . 13.7 mt -65.33 -45.75 83.05 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 111.474 -2.603 . . . . 0.0 111.325 -169.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -56.14 -50.46 71.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.679 -1.6 . . . . 0.0 113.057 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -56.75 -40.43 75.79 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 125.421 1.7 . . . . 0.0 111.279 -174.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -64.5 -35.87 82.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 113.129 -1.851 . . . . 0.0 112.631 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 126' ' ' THR . 6.8 m-30 -73.99 -37.53 64.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.499 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' A' ' 28' ' ' THR . 0.3 OUTLIER -66.67 -34.85 78.78 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.139 178.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.59 -20.46 62.0 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.682 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.36 1.7 27.83 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.913 0.758 . . . . 0.0 111.014 -168.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.01 20.17 76.31 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.599 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -90.74 153.69 20.08 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 117.676 -1.609 . . . . 0.0 107.364 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 104.89 8.79 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.81 108.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.569 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -101.22 111.05 29.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 110.195 -3.184 . . . . 0.0 106.765 178.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.84 103.19 14.36 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.239 -1.801 . . . . 0.0 107.256 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.91 -29.46 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 111.752 -2.477 . . . . 0.0 112.117 -165.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.18 145.54 4.15 Favored Glycine 0 C--N 1.354 1.532 0 O-C-N 124.954 1.409 . . . . 0.0 111.525 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -80.9 132.7 31.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 112.351 -1.925 . . . . 0.0 106.685 162.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 tt 73.72 124.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.759 0 O-C-N 125.562 1.788 . . . . 0.0 108.526 -159.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -159.79 176.44 11.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.718 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.01 161.75 39.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.094 166.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -51.67 -28.97 16.3 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.805 1.316 . . . . 0.0 113.493 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.32 -34.6 68.91 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.902 1.376 . . . . 0.0 112.559 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -82.56 -37.03 25.7 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.081 -1.872 . . . . 0.0 112.55 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CE2' HG13 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.31 -34.55 59.03 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 122.712 1.244 . . . . 0.0 113.181 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mt -50.6 -46.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 110.488 -3.051 . . . . 0.0 111.352 159.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -67.16 -34.16 76.97 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.694 1.246 . . . . 0.0 111.359 -170.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.796 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.1 -28.78 61.52 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 116.829 -1.558 . . . . 0.0 112.026 171.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -73.88 -30.44 62.63 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 119.001 -1.079 . . . . 0.0 113.365 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.23 -36.35 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.03 -50.83 29.78 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.625 -1.625 . . . . 0.0 111.498 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.65 -38.94 13.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 110.149 -3.205 . . . . 0.0 111.384 -166.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' HG23 ' A' ' 53' ' ' THR . 6.8 mtmp? 82.62 83.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.774 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.172 -164.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.64 134.65 45.22 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 112.432 -2.167 . . . . 0.0 111.197 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.39 -32.78 16.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.956 158.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.311 2.5 pt? -140.36 145.13 36.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.185 1.469 . . . . 0.0 111.633 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.54 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 20.5 mt -126.53 120.75 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 110.6 -3.0 . . . . 0.0 107.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.8 t -115.14 138.47 50.87 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.053 -1.885 . . . . 0.0 109.096 -174.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -123.51 135.94 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.459 -178.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.27 112.64 25.6 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 112.602 -2.09 . . . . 0.0 106.757 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.1 p -115.97 136.95 52.56 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.133 -171.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.6 mt -123.69 -2.3 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.847 -1.524 . . . . 0.0 112.423 -156.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -156.77 -172.36 4.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -156.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.5 22.53 12.9 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 112.843 -1.98 . . . . 0.0 112.053 171.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -122.03 12.63 10.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.827 0.957 . . . . 0.0 109.826 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.37 -21.46 67.08 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 124.121 0.888 . . . . 0.0 111.218 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.55 -28.01 63.56 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 112.81 -1.695 . . . . 0.0 111.433 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -91.1 -44.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 113.808 -1.542 . . . . 0.0 110.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.35 -41.72 39.32 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.2 -168.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.22 -45.61 22.54 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.018 1.449 . . . . 0.0 111.712 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -69.22 134.14 48.83 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.138 -171.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.88 10.79 71.62 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 112.837 -1.983 . . . . 0.0 112.542 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 tp -75.26 -25.66 58.21 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 125.024 1.073 . . . . 0.0 109.253 154.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -57.66 -53.99 51.96 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 113.93 -1.486 . . . . 0.0 109.815 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.372 11.5 mp0 -77.48 -26.28 51.16 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 176.683 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.398 20.9 ttmt -76.31 -29.18 57.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 125.2 1.563 . . . . 0.0 112.997 170.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.12 -38.2 52.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 123.473 1.606 . . . . 0.0 110.826 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.65 -43.65 98.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 110.247 -3.16 . . . . 0.0 109.001 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.337 2.3 pt-20 -73.27 -29.84 63.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.644 -2.98 . . . . 0.0 112.863 -177.521 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.75 3.0 7.09 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.645 -2.071 . . . . 0.0 112.813 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.19 35.95 32.64 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.696 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 86' ' ' ILE . 32.9 mt -135.23 71.96 1.44 Allowed 'General case' 0 C--N 1.347 0.489 0 CA-C-N 111.716 -2.242 . . . . 0.0 107.325 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -102.22 117.68 35.27 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.076 -1.874 . . . . 0.0 108.148 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.05 -20.57 2.12 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.498 -174.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.489 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.92 124.71 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-N 111.685 -2.258 . . . . 0.0 109.611 170.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.32 135.85 33.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 109.445 -3.525 . . . . 0.0 108.024 161.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.54 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 15.2 mt -109.96 134.9 51.61 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.979 1.371 . . . . 0.0 111.307 -175.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -107.62 136.21 47.76 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.234 -3.166 . . . . 0.0 106.328 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 p -135.25 123.79 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 112.189 -2.278 . . . . 0.0 105.72 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.61 152.08 22.77 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 118.397 -1.858 . . . . 0.0 113.157 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.71 -149.51 19.39 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 109.506 -3.347 . . . . 0.0 110.04 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -78.82 95.71 5.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.382 1.086 . . . . 0.0 109.86 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.0 pt -89.44 -43.99 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.339 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 96' ' ' VAL . 21.7 t -102.66 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 174.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.571 ' H ' HG12 ' A' ' 95' ' ' VAL . 7.6 p -84.54 33.56 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 124.183 0.927 . . . . 0.0 113.078 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.73 -52.06 3.91 Favored Glycine 0 CA--C 1.536 1.36 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.777 -173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.61 148.58 37.78 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.071 -1.565 . . . . 0.0 110.534 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 71.36 134.8 0.04 OUTLIER 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.118 -1.855 . . . . 0.0 109.999 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.74 131.73 39.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.231 -168.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.572 1.5 m-90 36.9 -71.04 0.0 OUTLIER Pre-proline 0 C--N 1.351 0.641 1 C-N-CA 132.057 4.143 . . . . 0.0 119.888 154.83 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.98 -39.9 40.46 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.857 1.342 . . . . 0.0 114.356 167.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.25 -45.04 18.64 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.449 -2.159 . . . . 0.0 112.543 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.0 -34.91 33.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 O-C-N 124.528 1.142 . . . . 0.0 111.716 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.03 -38.4 64.04 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.698 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -60.37 -33.33 72.3 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 118.556 -1.258 . . . . 0.0 111.575 174.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -75.24 -53.13 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.001 -176.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.04 -41.44 59.11 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.395 -168.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.28 -28.89 65.56 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.071 -1.877 . . . . 0.0 112.275 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.33 69.51 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.974 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.4 mmt -70.78 -39.03 73.43 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.395 1.059 . . . . 0.0 109.719 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.06 10.9 0.72 Allowed Glycine 0 C--N 1.355 1.607 0 CA-C-N 113.915 -1.493 . . . . 0.0 113.757 166.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.01 137.33 58.24 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.53 -52.88 59.26 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -144.87 141.26 28.94 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.734 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.26 113.7 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.296 -175.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -103.18 147.19 33.77 Favored Pre-proline 0 C--N 1.361 1.079 0 O-C-N 124.515 1.135 . . . . 0.0 113.407 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.33 169.73 9.66 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.806 2.338 . . . . 0.0 112.101 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.85 116.68 3.71 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 121.72 1.613 . . . . 0.0 111.772 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.71 74.17 1.27 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.898 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.06 137.29 40.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.778 -1.711 . . . . 0.0 107.96 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.34 156.07 77.65 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.321 164.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 -19.27 5.8 Favored 'Trans proline' 0 C--N 1.356 0.928 0 O-C-N 123.384 1.202 . . . . 0.0 115.079 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.96 -29.79 65.89 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.314 1.009 . . . . 0.0 110.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -33.08 71.25 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 112.674 -2.057 . . . . 0.0 112.28 176.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 1.6 m -79.13 -35.81 41.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 126.017 2.073 . . . . 0.0 108.787 -172.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.12 -33.01 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 110.973 -2.83 . . . . 0.0 109.524 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.37 -40.6 64.25 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.226 173.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 133' ' ' VAL 0.384 6.7 p30 -74.39 -33.99 63.19 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 114.054 -3.058 . . . . 0.0 114.182 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.9 -33.54 76.08 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.904 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.06 -57.27 4.15 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.911 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -57.64 -34.27 69.16 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.843 -1.526 . . . . 0.0 114.647 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 129' ' ' ASP . 25.1 t -68.53 -43.55 83.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.1 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.9 mt -98.05 19.91 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.587 1.179 . . . . 0.0 112.15 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.62 5.61 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.149 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.93 160.23 5.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-N 112.571 -1.815 . . . . 0.0 106.961 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.517 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 48.7 mtm . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.922 0.868 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 80.58 -4.69 1.79 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.309 -2.223 . . . . 0.0 112.331 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HZ3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -105.94 165.38 11.24 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.139 0.899 . . . . 0.0 109.446 178.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -87.67 109.86 19.99 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 112.642 -2.072 . . . . 0.0 107.367 164.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 53' ' ' THR . 37.6 m -97.21 127.58 43.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.604 -1.635 . . . . 0.0 107.823 166.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 123.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 110.333 -3.121 . . . . 0.0 104.119 160.213 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 37' ' ' ILE 0.314 1.1 t -99.93 133.88 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 CA-C-N 109.313 -3.585 . . . . 0.0 102.566 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.76 129.05 38.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 115.964 -2.294 . . . . 0.0 109.565 169.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.03 145.82 16.07 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 112.578 -2.101 . . . . 0.0 109.694 170.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HB ' HG12 ' A' ' 39' ' ' VAL . 89.1 t -97.6 120.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 171.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.424 HG21 ' SG ' ' A' ' 71' ' ' CYS . 6.6 tt -103.06 117.98 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 111.443 -2.617 . . . . 0.0 108.8 -163.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.24 -114.96 0.64 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.571 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -165.15 130.71 2.64 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.647 -1.277 . . . . 0.0 108.219 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 54.59 -163.14 0.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.764 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 t 78.29 52.18 0.03 OUTLIER 'General case' 0 C--N 1.352 0.693 0 CA-C-N 112.749 -2.023 . . . . 0.0 110.736 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m80 65.1 -157.2 0.29 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-N 113.089 -1.869 . . . . 0.0 110.014 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -68.73 0.35 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.884 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p 48.27 53.02 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-N 111.889 -2.414 . . . . 0.0 112.447 -175.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.7 21.3 1.79 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.565 -2.107 . . . . 0.0 112.76 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' HB2' HG23 ' A' ' 10' ' ' VAL . 11.5 t-20 -128.64 -8.97 5.07 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.603 1.161 . . . . 0.0 109.404 174.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -138.01 128.4 26.27 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.884 -1.962 . . . . 0.0 106.407 168.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.287 20.6 mm 92.07 -30.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 112.715 -2.038 . . . . 0.0 112.08 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.26 -52.1 13.34 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 117.905 -1.518 . . . . 0.0 108.149 158.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.94 -56.03 21.52 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 111.742 -2.481 . . . . 0.0 110.494 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -56.86 -31.98 65.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.431 1.707 . . . . 0.0 113.367 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -74.01 -38.97 63.91 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 124.645 1.216 . . . . 0.0 111.764 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' HB3' HG21 ' A' ' 34' ' ' VAL . 12.6 m-30 -75.47 -37.57 60.17 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.239 -1.8 . . . . 0.0 111.031 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -35.42 77.79 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.373 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.5 -20.62 63.72 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.132 -2.304 . . . . 0.0 112.682 174.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 6.74 23.58 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.743 0.652 . . . . 0.0 111.063 -170.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.292 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -98.23 137.9 36.3 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -77.93 104.65 8.62 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.579 HG22 HG23 ' A' ' 6' ' ' ILE . 76.5 t -122.53 109.71 24.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 C-N-CA 117.985 -1.486 . . . . 0.0 109.549 -162.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.7 t -90.96 110.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 110.287 -3.142 . . . . 0.0 107.061 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.0 102.13 14.44 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.824 1.297 . . . . 0.0 108.162 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -72.14 -30.79 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 110.845 -2.889 . . . . 0.0 112.104 -162.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 163.55 11.13 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.961 -1.472 . . . . 0.0 109.881 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 10' ' ' VAL . 15.6 m -109.17 117.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.77 -1.715 . . . . 0.0 109.872 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp 158.81 143.44 0.01 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.844 2.458 . . . . 0.0 106.089 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 11' ' ' ILE . 29.0 t -74.06 125.69 28.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 113.876 -1.511 . . . . 0.0 110.058 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 171.86 93.96 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 111.653 -2.521 . . . . 0.0 106.748 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.23 -28.96 68.43 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.543 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.64 -25.82 63.1 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 125.024 1.453 . . . . 0.0 113.018 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -35.37 16.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.848 1.342 . . . . 0.0 111.997 -175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -38.11 56.96 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 122.622 1.201 . . . . 0.0 110.104 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.34 -32.9 56.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 110.572 -3.013 . . . . 0.0 110.88 165.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.79 -36.61 84.86 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 118.439 -1.305 . . . . 0.0 110.308 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.03 -28.66 61.53 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 116.637 -1.649 . . . . 0.0 112.628 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.34 -30.45 53.96 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 118.4 -1.32 . . . . 0.0 113.097 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.88 -36.39 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.77 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.96 -50.88 29.67 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.649 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -92.01 -33.62 14.76 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 110.636 -2.984 . . . . 0.0 112.538 -167.55 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 80.73 75.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 CA-C-N 111.399 -2.637 . . . . 0.0 109.005 -168.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.8 135.68 56.82 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 111.952 -2.386 . . . . 0.0 110.626 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.38 -30.82 17.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.775 159.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.299 2.7 pt? -140.48 145.21 36.63 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.797 -1.547 . . . . 0.0 111.334 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 86' ' ' ILE . 96.7 mt -124.12 127.58 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 111.263 -2.699 . . . . 0.0 106.136 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -115.02 140.65 48.88 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.706 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 121.8 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 111.08 -2.782 . . . . 0.0 107.598 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.76 113.17 25.16 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.125 1.515 . . . . 0.0 107.378 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -100.81 155.68 17.79 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.613 1.197 . . . . 0.0 110.214 -173.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.1 -85.99 0.03 OUTLIER 'General case' 0 C--N 1.351 0.664 0 CA-C-N 111.298 -2.683 . . . . 0.0 110.705 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -81.52 -140.42 0.04 OUTLIER 'General case' 0 C--N 1.358 0.96 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 163.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' CG ' ' A' ' 64' ' ' TYR . . . -84.84 57.86 5.0 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 119.669 -1.253 . . . . 0.0 112.287 160.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.86 7.79 29.06 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 123.945 0.438 . . . . 0.0 111.606 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.12 -19.07 70.52 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.433 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.34 -27.89 60.89 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.375 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.252 47.4 mm -91.13 -45.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.007 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -78.26 -56.49 4.42 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 112.752 -2.022 . . . . 0.0 113.878 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' ILE . 58.9 m -78.27 -25.99 46.95 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.941 -156.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 113.88 3.49 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.608 1.193 . . . . 0.0 111.614 -165.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.47 27.37 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.181 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.74 -26.04 57.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.899 1.0 . . . . 0.0 112.338 157.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -73.05 -37.96 66.65 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 117.568 -1.653 . . . . 0.0 108.653 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.375 31.5 tt0 -77.49 -26.36 51.19 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 174.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.295 27.3 mmtp -76.29 -29.29 57.33 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 125.365 1.666 . . . . 0.0 112.642 165.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.62 -36.9 57.17 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 125.269 1.605 . . . . 0.0 110.411 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.53 -43.69 96.4 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 110.671 -2.968 . . . . 0.0 109.953 173.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 24.1 mm-40 -73.12 -29.71 63.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 109.45 -3.523 . . . . 0.0 112.412 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.88 0.15 14.21 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.197 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.6 39.09 30.68 Favored Glycine 0 C--N 1.352 1.472 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 86' ' ' ILE . 47.2 mt -140.75 54.37 1.59 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 111.561 -2.319 . . . . 0.0 107.544 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 116.69 29.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.071 -1.877 . . . . 0.0 108.79 172.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.37 -28.44 1.21 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 111.938 -2.392 . . . . 0.0 107.521 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 58' ' ' ILE . 1.9 mp -65.24 124.77 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 111.948 -2.126 . . . . 0.0 109.949 167.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -91.01 137.57 32.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.755 163.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.479 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.1 mt -109.88 134.36 52.15 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 123.597 1.665 . . . . 0.0 110.878 -177.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -107.81 132.72 53.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 109.622 -3.445 . . . . 0.0 106.006 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 123.33 33.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.78 152.26 20.66 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 113.423 -1.717 . . . . 0.0 114.075 -160.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.85 -143.29 16.44 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 110.593 -2.804 . . . . 0.0 109.412 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.92 120.82 23.32 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 166.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.22 -24.9 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 124.86 1.35 . . . . 0.0 111.552 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 95' ' ' VAL . 62.4 t -144.51 13.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-O 122.494 1.14 . . . . 0.0 112.539 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.8 t -56.05 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 111.99 -2.368 . . . . 0.0 109.796 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.79 75.63 0.03 OUTLIER Glycine 0 C--N 1.347 1.164 0 CA-C-N 113.179 -1.828 . . . . 0.0 108.893 -168.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 64.92 33.45 9.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 112.233 -1.983 . . . . 0.0 111.611 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -177.15 147.55 0.56 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.738 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -154.59 154.39 32.95 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.814 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.564 1.9 m-90 13.25 -70.74 0.0 OUTLIER Pre-proline 0 C--N 1.35 0.611 0 C-N-CA 131.368 3.867 . . . . 0.0 119.759 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.02 -43.75 29.59 Favored 'Trans proline' 0 CA--C 1.551 1.37 0 N-CA-C 115.945 1.479 . . . . 0.0 115.945 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -80.18 -30.03 38.75 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.565 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG13 HG21 ' A' ' 95' ' ' VAL . 70.3 t -75.4 -52.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.196 -172.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.3 -37.29 80.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.346 174.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.95 -45.56 90.16 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.71 1.256 . . . . 0.0 111.744 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -73.87 -53.31 10.48 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.319 1.012 . . . . 0.0 111.797 -170.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -50.23 64.92 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.2 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -73.5 -28.7 62.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.827 -2.442 . . . . 0.0 111.854 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.99 69.72 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 112.171 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.0 mmt -68.04 -54.11 20.77 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 118.882 -1.127 . . . . 0.0 109.128 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.51 6.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.553 0 CA-C-N 113.032 -1.895 . . . . 0.0 113.812 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.58 136.68 56.79 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-O 121.706 0.765 . . . . 0.0 109.325 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.01 -62.02 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 113.188 -1.824 . . . . 0.0 110.485 -172.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -145.17 147.98 33.07 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.971 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.13 115.69 46.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.001 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -85.08 135.79 39.07 Favored Pre-proline 0 C--N 1.351 0.65 0 CA-C-N 113.47 -1.695 . . . . 0.0 110.015 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -55.71 179.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.428 2.086 . . . . 0.0 114.917 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -62.86 115.79 3.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 121.176 1.251 . . . . 0.0 113.396 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.09 71.68 0.89 Allowed Glycine 0 C--N 1.352 1.439 0 CA-C-N 113.637 -1.62 . . . . 0.0 112.776 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.17 137.5 40.36 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.659 -1.771 . . . . 0.0 111.6 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -48.9 159.3 0.57 Allowed Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.5 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.07 -14.14 8.69 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.475 1.45 . . . . 0.0 113.005 174.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.98 62.15 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.312 -173.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -31.68 70.76 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.621 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 -39.98 31.78 Favored 'General case' 0 N--CA 1.437 -1.081 0 O-C-N 126.485 2.366 . . . . 0.0 108.981 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.2 -34.03 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 110.773 -2.921 . . . . 0.0 109.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.35 65.56 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.428 -1.714 . . . . 0.0 111.481 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 133' ' ' VAL 0.476 23.0 p30 -77.03 -29.02 55.12 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 113.291 -3.364 . . . . 0.0 115.046 176.088 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.0 ptp -72.73 -29.76 63.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.899 173.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.24 -57.16 8.17 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.113 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.48 -45.32 92.0 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.924 -1.944 . . . . 0.0 114.555 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 129' ' ' ASP . 38.9 t -65.79 -46.3 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.274 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.5 mt -82.87 -1.76 52.92 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.186 -1.37 . . . . 0.0 112.11 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.27 71.61 1.07 Allowed Glycine 0 C--N 1.356 1.67 0 O-C-N 124.223 0.952 . . . . 0.0 110.807 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.0 t -143.89 165.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 112.426 -1.887 . . . . 0.0 107.058 -171.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.937 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 122.284 1.04 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.4 -44.1 92.35 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.612 -2.086 . . . . 0.0 110.254 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -109.22 165.34 11.69 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 111.898 -2.41 . . . . 0.0 106.985 170.067 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -95.23 109.67 21.76 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 98.1 m -93.83 139.48 30.82 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.557 -2.111 . . . . 0.0 107.043 169.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -113.84 133.21 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 110.609 -2.996 . . . . 0.0 105.531 163.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 5' ' ' THR . 1.0 OUTLIER -122.77 116.88 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 111.157 -2.747 . . . . 0.0 105.406 -167.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.9 pp -132.3 128.99 38.94 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.223 -2.591 . . . . 0.0 110.924 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.21 145.37 15.86 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 111.137 -2.756 . . . . 0.0 109.264 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.626 HG11 ' HA ' ' A' ' 17' ' ' ALA . 14.6 t -97.92 121.0 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 168.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -96.72 121.8 47.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.198 -163.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.62 53.68 11.82 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 111.292 -2.686 . . . . 0.0 111.065 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -101.79 164.11 11.9 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 112.154 -2.023 . . . . 0.0 109.961 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -167.65 44.05 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.589 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -163.47 -64.56 0.04 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-N 113.481 -1.691 . . . . 0.0 110.632 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -166.37 168.7 14.73 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.58 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HA ' HG11 ' A' ' 10' ' ' VAL . . . -77.39 81.44 3.87 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 113.386 -1.734 . . . . 0.0 109.435 165.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -87.75 137.8 20.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 CA-C-N 112.577 -2.102 . . . . 0.0 106.938 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.33 13.53 81.45 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 113.367 -1.742 . . . . 0.0 112.333 -172.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -169.71 42.0 0.03 OUTLIER 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.179 1.466 . . . . 0.0 108.474 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -79.12 -21.95 45.85 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.886 177.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.28 -22.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 124.646 1.216 . . . . 0.0 111.089 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.14 -52.01 67.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.592 1.183 . . . . 0.0 111.832 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.6 -48.75 74.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 113.215 -1.811 . . . . 0.0 112.921 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -56.22 -44.12 79.24 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.645 1.841 . . . . 0.0 111.576 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -75.7 -26.87 57.94 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.622 -174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' A' ' 126' ' ' THR . 12.7 m-85 -67.21 -36.4 81.62 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.635 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.72 84.4 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.903 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -68.86 -20.61 64.28 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.461 -2.154 . . . . 0.0 112.767 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.6 3.35 41.15 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.964 0.79 . . . . 0.0 110.522 -168.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.19 21.05 78.67 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.58 -1.645 . . . . 0.0 111.035 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.08 143.7 26.13 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -77.92 104.83 8.72 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 6' ' ' ILE . 94.2 t -124.06 108.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 CA-C-N 113.878 -1.51 . . . . 0.0 107.957 -170.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -98.45 110.75 26.55 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.057 174.751 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.15 104.78 17.3 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.788 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.45 -13.75 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 111.982 -2.372 . . . . 0.0 112.0 -170.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.11 170.05 23.18 Favored Glycine 0 C--N 1.357 1.741 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.686 163.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -80.91 149.06 5.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 112.089 -2.056 . . . . 0.0 108.961 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 tp 57.82 86.26 0.08 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.023 -1.899 . . . . 0.0 110.692 -174.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -159.27 162.93 36.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 109.98 -3.282 . . . . 0.0 106.971 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -151.81 178.89 8.92 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.208 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -47.99 -28.83 2.98 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -163.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -60.92 -39.27 88.76 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.172 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -81.09 -32.63 33.8 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.986 -1.461 . . . . 0.0 113.124 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.855 ' CE2' HG12 ' A' ' 60' ' ' VAL . 21.0 m-85 -74.05 -48.18 31.73 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.563 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 74' ' ' LEU . 5.3 pt -59.25 -32.87 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 113.242 -1.799 . . . . 0.0 111.028 169.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -68.06 -29.03 67.89 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 125.24 1.587 . . . . 0.0 110.823 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.864 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.02 -28.84 61.63 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 115.701 -2.095 . . . . 0.0 112.135 170.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -74.51 -30.67 61.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.339 1.427 . . . . 0.0 113.548 173.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' A' ' 81' ' ' ALA . 33.7 mt -70.39 -36.06 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 113.527 -1.67 . . . . 0.0 108.15 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.11 -51.07 11.65 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.695 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 1.4 t -84.05 -39.55 19.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.59 -2.55 . . . . 0.0 112.634 -165.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' HG23 ' A' ' 53' ' ' THR . 29.3 mtpt 91.05 66.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 126.851 2.595 . . . . 0.0 110.608 -167.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -86.06 137.47 32.67 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.363 -1.744 . . . . 0.0 110.803 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.32 -24.35 20.9 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.485 165.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.2 pt? -140.29 145.04 36.75 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 123.417 1.579 . . . . 0.0 112.853 -175.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.637 ' HB ' HD22 ' A' ' 88' ' ' LEU . 58.9 mt -127.96 107.82 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 110.031 -3.259 . . . . 0.0 108.575 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.8 m -103.62 114.67 29.11 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.628 1.205 . . . . 0.0 111.26 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.855 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.1 m -97.72 148.18 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 122.113 0.958 . . . . 0.0 109.557 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.478 ' HB2' HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -115.1 117.33 30.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 112.039 -2.346 . . . . 0.0 108.506 -179.121 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 t -100.98 164.27 11.9 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 122.398 1.094 . . . . 0.0 109.206 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mp -120.88 -24.19 5.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.096 -165.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -47.7 0.77 Allowed 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.757 1.285 . . . . 0.0 109.305 176.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.11 19.3 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 112.618 -2.083 . . . . 0.0 111.428 -162.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -85.11 16.11 3.72 Favored 'General case' 0 C--N 1.363 1.191 0 O-C-N 124.292 0.642 . . . . 0.0 110.752 167.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -18.91 79.02 Favored Glycine 0 C--N 1.349 1.267 0 CA-C-N 113.36 -1.746 . . . . 0.0 109.669 162.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -39.85 48.28 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-O 122.54 1.162 . . . . 0.0 109.552 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.33 -32.34 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 111.749 -2.478 . . . . 0.0 110.44 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.33 -35.11 68.5 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.102 -1.408 . . . . 0.0 110.016 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.7 t -51.63 -38.94 56.98 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.117 -172.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 111.86 14.41 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.74 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.82 78.85 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 111.837 -2.438 . . . . 0.0 115.877 153.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 47' ' ' ILE . 7.4 tp -75.78 -25.97 56.93 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.339 1.069 . . . . 0.0 111.186 152.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -57.83 -50.45 73.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.992 1.432 . . . . 0.0 109.984 166.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 27.8 mt-10 -77.6 -26.46 50.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.285 32.5 mmtp -76.51 -29.46 56.8 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 125.137 1.523 . . . . 0.0 112.966 168.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 83' ' ' LEU . 47.4 t -77.08 -40.2 46.92 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 125.675 1.86 . . . . 0.0 109.596 174.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.82 -39.65 93.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 110.439 -3.073 . . . . 0.0 110.078 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 27.8 mt-10 -73.09 -29.46 62.94 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 110.384 -3.098 . . . . 0.0 112.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 51' ' ' ILE . . . -73.58 -0.34 14.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.4 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.02 17.76 79.85 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.244 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 HG13 ' A' ' 51' ' ' ILE . 35.5 mt -90.79 -25.81 19.76 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 113.243 -1.479 . . . . 0.0 111.519 -173.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 114.0 0.12 Allowed 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.798 1.936 . . . . 0.0 114.02 -170.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.35 -27.48 0.78 Allowed Glycine 0 C--N 1.344 0.994 0 CA-C-N 111.062 -2.79 . . . . 0.0 107.605 -170.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 HD23 ' A' ' 88' ' ' LEU . 1.3 mp -64.99 136.23 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 111.574 -2.313 . . . . 0.0 110.42 166.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.56 134.22 34.23 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 108.928 -3.76 . . . . 0.0 108.046 162.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.8 mt -109.8 137.17 47.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-O 123.329 1.538 . . . . 0.0 108.871 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -107.48 146.18 32.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 110.208 -3.178 . . . . 0.0 107.821 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.26 123.82 34.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 113.032 -1.895 . . . . 0.0 107.674 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.01 23.89 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 113.815 -1.539 . . . . 0.0 110.967 -171.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.4 108.24 0.24 Allowed Glycine 0 CA--C 1.536 1.351 0 CA-C-N 112.351 -1.924 . . . . 0.0 111.825 170.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 56.83 53.74 7.9 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 122.414 1.102 . . . . 0.0 110.246 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 pt -75.24 -55.95 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 111.866 -2.425 . . . . 0.0 112.561 -161.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 96' ' ' VAL . 9.4 p -129.08 173.08 14.4 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-O 123.853 1.787 . . . . 0.0 110.361 -163.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 95' ' ' VAL . 58.5 t -137.57 133.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 108.618 -3.901 . . . . 0.0 108.391 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.26 39.52 2.25 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 111.756 -2.475 . . . . 0.0 110.567 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.55 113.89 0.03 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.736 -1.732 . . . . 0.0 110.82 -176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.79 108.35 2.09 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 112.81 -1.996 . . . . 0.0 110.619 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -138.24 82.21 1.9 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.364 -2.198 . . . . 0.0 108.282 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.3 1.9 m-90 -8.36 -61.48 0.01 OUTLIER Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 119.305 3.076 . . . . 0.0 119.305 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 -39.24 91.07 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 114.924 1.086 . . . . 0.0 114.924 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.99 -43.07 22.65 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.859 -1.973 . . . . 0.0 111.597 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.76 -57.95 8.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 113.89 -1.504 . . . . 0.0 110.246 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.46 -28.35 69.15 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.186 1.554 . . . . 0.0 112.528 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -57.77 -43.02 85.25 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 118.155 -1.418 . . . . 0.0 111.449 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -78.1 -37.91 45.28 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.937 -1.483 . . . . 0.0 112.494 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.04 -39.37 61.07 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.09 0.869 . . . . 0.0 111.189 -171.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -71.23 -28.63 64.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.944 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.93 67.94 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 124.158 0.911 . . . . 0.0 112.073 173.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 22.8 mmt -74.87 -37.08 62.26 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 124.153 0.908 . . . . 0.0 109.584 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.46 -17.4 3.76 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-N 112.776 -2.011 . . . . 0.0 112.406 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.17 115.8 5.35 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 122.004 0.907 . . . . 0.0 109.231 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.39 -37.39 71.57 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.745 -2.48 . . . . 0.0 111.892 -161.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -140.96 147.49 38.85 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 124.976 1.422 . . . . 0.0 110.874 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.34 113.94 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 110.649 -2.978 . . . . 0.0 110.077 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.439 ' HB3' HG21 ' A' ' 121' ' ' THR . 29.1 m-85 -93.05 146.5 32.09 Favored Pre-proline 0 C--N 1.36 1.062 0 O-C-N 124.043 0.839 . . . . 0.0 111.371 168.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -62.81 -178.86 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 122.086 1.857 . . . . 0.0 114.961 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.89 120.98 6.96 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 122.452 2.101 . . . . 0.0 111.485 162.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.49 66.19 2.21 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.589 -1.641 . . . . 0.0 111.384 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -96.89 137.73 35.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 111.943 -2.128 . . . . 0.0 109.313 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.7 149.13 4.62 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.291 158.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.06 -9.91 10.47 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 121.043 1.162 . . . . 0.0 113.497 173.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.28 -29.71 68.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -70.93 -36.66 72.73 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 113.38 -1.737 . . . . 0.0 112.382 177.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.41 -32.78 42.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 126.285 2.24 . . . . 0.0 109.194 -173.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.3 mt -75.15 -39.76 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.728 -2.487 . . . . 0.0 110.414 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.62 64.22 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.348 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.3 t0 -63.99 -55.18 24.24 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 116.447 -2.101 . . . . 0.0 112.732 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.5 ptp -65.32 -33.09 75.15 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.986 0.804 . . . . 0.0 112.305 -173.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.93 -56.73 5.59 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.373 -1.74 . . . . 0.0 109.769 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.05 -37.35 82.33 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.94 -38.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.878 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.09 -4.33 58.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.495 1.122 . . . . 0.0 111.876 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.33 79.15 0.36 Allowed Glycine 0 C--N 1.353 1.52 0 O-C-N 124.297 0.998 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.82 155.85 8.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.926 -1.637 . . . . 0.0 107.661 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 CA--C 1.543 0.684 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.563 -179.213 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 121.511 0.672 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.37 131.06 37.87 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.184 -1.825 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.04 165.26 26.11 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.532 -2.122 . . . . 0.0 108.262 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 109.82 22.5 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 112.237 -2.256 . . . . 0.0 106.659 168.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 53' ' ' THR . 94.5 m -92.74 130.54 38.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 112.498 -2.137 . . . . 0.0 107.801 170.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 131.78 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 CA-C-N 110.313 -3.13 . . . . 0.0 104.87 160.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.26 1.2 t -117.36 136.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 109.832 -3.349 . . . . 0.0 103.618 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 129.16 38.66 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.603 -2.439 . . . . 0.0 108.771 167.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.05 145.84 16.07 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 111.863 -2.426 . . . . 0.0 110.824 173.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.43 120.63 47.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.82 144.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 111.364 -2.653 . . . . 0.0 112.13 -160.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.39 -26.09 6.44 Favored Glycine 0 C--N 1.352 1.449 0 CA-C-N 111.35 -2.659 . . . . 0.0 111.246 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t 64.37 154.1 0.06 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-N 113.33 -1.435 . . . . 0.0 110.568 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 58.23 68.16 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.042 -1.89 . . . . 0.0 110.504 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -146.63 -162.16 1.47 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.518 -2.128 . . . . 0.0 108.007 -173.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -160.78 149.51 16.57 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.079 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.9 70.56 9.5 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.472 -1.695 . . . . 0.0 111.237 -173.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.74 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.018 -1.901 . . . . 0.0 108.123 169.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 -54.89 3.77 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 114.088 -1.415 . . . . 0.0 110.379 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -61.68 -88.77 0.01 OUTLIER 'General case' 0 C--N 1.354 0.786 0 CA-C-N 112.835 -1.683 . . . . 0.0 109.072 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? 66.4 -97.82 0.05 OUTLIER 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.033 1.458 . . . . 0.0 110.516 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.96 54.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 123.278 1.513 . . . . 0.0 109.652 169.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.01 -25.44 60.97 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 110.786 -2.915 . . . . 0.0 108.816 147.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -50.87 -48.64 60.17 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.989 -1.459 . . . . 0.0 110.208 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -46.99 -43.01 18.95 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 125.918 2.011 . . . . 0.0 113.254 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -37.65 83.79 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.79 1.307 . . . . 0.0 112.034 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -76.0 -35.63 59.5 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.831 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.44 79.58 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.4 1.095 . . . . 0.0 109.436 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.26 -20.48 62.9 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 111.561 -2.563 . . . . 0.0 112.774 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 4.8 21.09 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 123.753 0.658 . . . . 0.0 110.677 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 17.26 74.56 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -92.56 156.16 17.31 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 117.294 -1.762 . . . . 0.0 108.9 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -77.84 104.98 8.72 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 162.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.54 108.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 113.207 -1.815 . . . . 0.0 107.684 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -100.71 117.36 45.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 110.401 -3.09 . . . . 0.0 106.9 179.143 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -85.83 100.97 12.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.744 -2.025 . . . . 0.0 106.683 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -41.0 80.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.389 -167.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.96 156.07 8.02 Favored Glycine 0 C--N 1.352 1.469 0 CA-C-N 113.049 -1.887 . . . . 0.0 111.184 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 t -80.9 170.13 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 110.69 -2.755 . . . . 0.0 105.514 159.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tp 83.96 38.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.328 1.018 . . . . 0.0 110.719 172.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -179.16 4.15 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.704 -170.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 m -153.38 -170.04 3.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.718 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.761 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.3 pt20 -48.01 -45.22 31.61 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -166.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.01 -24.95 63.37 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 124.433 1.083 . . . . 0.0 111.905 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.88 -31.4 40.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.659 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.58 -37.44 56.5 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.639 1.685 . . . . 0.0 112.166 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.89 -36.25 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.115 -3.675 . . . . 0.0 112.981 158.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -70.76 -28.83 64.98 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.083 0.864 . . . . 0.0 111.282 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.778 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.89 -28.67 64.71 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 116.527 -1.702 . . . . 0.0 111.596 164.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.55 65.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.595 -1.242 . . . . 0.0 113.879 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.5 mt -68.28 -36.94 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 172.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.12 -50.74 25.53 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.384 -1.734 . . . . 0.0 111.771 -172.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.26 -36.06 15.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.295 -3.139 . . . . 0.0 111.468 -167.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 53' ' ' THR . 63.1 mttm 80.79 79.84 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 CA-C-N 111.942 -2.39 . . . . 0.0 109.794 -166.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 139.35 49.98 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 112.477 -2.147 . . . . 0.0 111.886 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -90.36 -34.22 15.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.567 156.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.317 2.6 pt? -140.31 144.97 36.64 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 123.317 1.532 . . . . 0.0 112.916 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 44.2 mt -123.35 126.75 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 110.349 -3.114 . . . . 0.0 106.843 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 t -115.05 141.07 48.5 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.065 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.78 121.86 60.81 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 111.021 -2.809 . . . . 0.0 106.409 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 112.82 24.89 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 112.877 -1.965 . . . . 0.0 107.424 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 120.92 41.44 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.659 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.0 mt -135.34 42.11 2.74 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 112.416 -2.175 . . . . 0.0 109.112 -167.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.8 2.53 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.767 -171.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.77 37.14 92.0 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 124.136 0.897 . . . . 0.0 113.328 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -144.63 35.4 1.16 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.554 -1.323 . . . . 0.0 108.499 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -71.69 -40.85 58.0 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 112.597 -2.092 . . . . 0.0 110.902 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -65.35 -27.93 68.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 125.023 1.072 . . . . 0.0 111.87 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.96 -44.61 92.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 O-C-N 124.753 1.283 . . . . 0.0 110.696 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -56.34 4.58 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.584 1.178 . . . . 0.0 111.853 173.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 71.2 m -56.75 -25.66 55.51 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.685 -2.052 . . . . 0.0 113.655 -164.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 112.0 0.91 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.695 1.247 . . . . 0.0 111.224 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.88 56.35 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.847 -1.979 . . . . 0.0 112.474 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 43' ' ' GLN . 37.7 tp -75.75 -26.23 57.24 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.432 0.724 . . . . 0.0 111.076 153.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -63.98 -45.24 89.96 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.368 169.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.326 27.9 mt-10 -77.49 -26.29 51.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -29.61 56.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.563 1.79 . . . . 0.0 111.894 167.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.34 -35.16 54.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.537 1.637 . . . . 0.0 110.858 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.62 -43.37 84.93 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 109.942 -3.299 . . . . 0.0 109.789 172.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.314 25.4 mm-40 -73.24 -29.77 63.0 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 109.898 -3.319 . . . . 0.0 112.845 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 0.54 12.89 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.832 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 38.77 34.67 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -141.23 47.15 1.71 Allowed 'General case' 0 C--N 1.347 0.5 0 CA-C-N 111.735 -2.233 . . . . 0.0 108.566 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 116.63 22.88 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.329 172.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.88 -28.83 0.92 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 112.311 -2.222 . . . . 0.0 107.944 -170.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.97 124.87 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 111.528 -2.336 . . . . 0.0 110.222 168.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -89.28 150.45 22.6 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 109.865 -3.334 . . . . 0.0 108.039 158.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.547 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 22.5 mt -125.82 137.72 53.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.675 1.226 . . . . 0.0 111.286 -170.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -107.81 132.51 53.34 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.532 170.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.02 123.6 34.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.97 152.16 24.0 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 112.951 -1.931 . . . . 0.0 113.407 -168.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.8 -146.38 16.3 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 110.743 -2.729 . . . . 0.0 108.589 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.91 -48.9 51.09 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.266 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.5 pt 49.39 35.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 111.103 -2.772 . . . . 0.0 112.892 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t -147.94 163.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 112.082 -2.326 . . . . 0.0 105.588 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -92.08 50.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 112.207 -2.269 . . . . 0.0 109.744 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 171.08 -110.77 0.37 Allowed Glycine 0 C--N 1.349 1.284 0 CA-C-N 112.514 -2.13 . . . . 0.0 108.862 -174.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.05 41.98 0.01 OUTLIER 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.305 -1.448 . . . . 0.0 110.395 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -62.92 137.98 58.42 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 113.87 -1.513 . . . . 0.0 109.95 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -103.84 54.08 0.74 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.391 -162.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.44 1.3 m-90 85.75 -5.11 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.321 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 164.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.8 -52.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.373 1.847 0 CA-C-N 123.246 2.195 . . . . 0.0 112.22 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.24 -29.92 38.46 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.94 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.97 -49.1 83.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.205 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -66.58 -33.76 76.38 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.606 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -61.54 -37.14 82.7 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.333 1.02 . . . . 0.0 111.853 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -74.33 -53.22 10.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.944 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.73 -55.01 12.74 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.413 -1.722 . . . . 0.0 111.275 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -64.66 -30.28 71.29 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.119 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.1 94.33 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.824 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.2 ptm -74.2 -21.65 59.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.976 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.28 -2.72 2.35 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 124.485 1.115 . . . . 0.0 114.975 162.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -54.8 134.55 47.9 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.965 0.888 . . . . 0.0 111.222 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.92 -56.54 11.22 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 112.458 -2.155 . . . . 0.0 110.697 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -134.99 146.6 49.22 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.093 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.07 113.78 39.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.07 -2.332 . . . . 0.0 107.455 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -92.56 122.21 64.74 Favored Pre-proline 0 C--N 1.347 0.475 0 CA-C-N 112.67 -2.059 . . . . 0.0 112.458 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -52.8 165.35 1.19 Allowed 'Trans proline' 0 C--N 1.371 1.744 0 N-CA-C 114.936 1.091 . . . . 0.0 114.936 167.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.96 0.27 3.31 Favored 'Trans proline' 0 C--N 1.369 1.61 0 N-CA-C 119.152 2.712 . . . . 0.0 119.152 -167.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.43 75.55 0.17 Allowed Glycine 0 C--N 1.348 1.209 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.08 137.33 40.5 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.023 -2.088 . . . . 0.0 110.079 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -50.76 169.41 0.21 Allowed Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.686 -2.507 . . . . 0.0 111.387 168.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.76 -19.87 5.81 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 120.906 1.071 . . . . 0.0 113.461 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -74.35 -29.97 61.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.273 -168.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -31.77 64.44 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.847 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -39.63 32.66 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 126.418 2.324 . . . . 0.0 108.943 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 85.8 mt -75.04 -32.8 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 109.601 -3.454 . . . . 0.0 108.588 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.24 65.32 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.526 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.433 27.9 p30 -75.64 -31.46 59.83 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 114.058 -3.057 . . . . 0.0 114.509 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 8.1 ptp -71.75 -40.15 69.54 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 118.066 -1.453 . . . . 0.0 112.545 171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -63.56 -57.07 11.3 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.15 -33.87 71.41 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.038 -1.437 . . . . 0.0 114.214 -176.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.86 -45.38 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.972 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 70.2 mt -83.55 8.42 14.19 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.006 -173.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.07 53.7 6.08 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 122.214 0.897 . . . . 0.0 111.256 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -149.17 177.11 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 112.09 -2.055 . . . . 0.0 106.537 -174.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.962 172.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mtp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.963 0.887 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.15 67.85 2.62 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 112.584 -2.098 . . . . 0.0 110.387 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.27 165.45 11.49 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 112.432 -2.167 . . . . 0.0 106.186 168.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -89.48 109.45 20.38 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 116.765 -1.974 . . . . 0.0 107.056 165.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 53' ' ' THR . 26.5 m -87.78 141.98 28.17 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 112.725 -2.034 . . . . 0.0 106.15 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 34' ' ' VAL . 1.2 mt -107.27 122.4 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 159.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 58' ' ' ILE 0.294 2.2 t -100.26 116.98 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.158 0 CA-C-N 109.379 -3.555 . . . . 0.0 101.766 175.077 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.06 128.93 39.29 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 116.34 -2.144 . . . . 0.0 107.133 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.78 145.66 16.06 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 110.932 -2.849 . . . . 0.0 108.595 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 63' ' ' LEU . 42.6 t -97.47 120.17 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tt -96.81 130.4 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 111.968 -2.378 . . . . 0.0 107.323 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . 92.88 117.85 2.56 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 111.989 -2.369 . . . . 0.0 108.261 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.87 103.88 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 111.242 -2.479 . . . . 0.0 112.49 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -74.23 74.34 1.8 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 111.857 -2.429 . . . . 0.0 108.781 169.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t 177.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.885 -1.962 . . . . 0.0 108.709 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -80.3 145.68 32.0 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.211 -2.268 . . . . 0.0 110.036 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.44 79.28 0.31 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 125.247 1.592 . . . . 0.0 109.711 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.8 t -127.83 89.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 112.975 -1.92 . . . . 0.0 106.917 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.85 -38.66 0.57 Allowed Glycine 0 C--N 1.346 1.126 0 CA-C-N 111.891 -2.413 . . . . 0.0 108.405 -170.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 111.597 -2.302 . . . . 0.0 110.91 166.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.86 137.25 50.61 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.634 -2.075 . . . . 0.0 111.302 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.345 0.5 OUTLIER 90.64 -46.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-N 111.173 -2.739 . . . . 0.0 109.521 -175.139 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.09 -52.24 15.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.096 -164.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.81 -29.91 69.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.013 -1.903 . . . . 0.0 112.701 -173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -70.36 -43.11 70.82 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.805 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -60.37 -38.36 83.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.062 -1.881 . . . . 0.0 114.076 -168.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CB ' HG21 ' A' ' 34' ' ' VAL . 24.5 m-85 -73.45 -35.4 65.73 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.171 -1.377 . . . . 0.0 110.91 -173.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -35.63 80.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.161 -1.836 . . . . 0.0 110.068 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.51 -20.63 62.82 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.228 -2.26 . . . . 0.0 112.256 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.24 4.36 50.84 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.153 0.908 . . . . 0.0 110.358 -170.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.95 76.16 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.35 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -94.62 147.88 22.83 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -179.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -77.9 111.71 14.02 Favored 'General case' 0 C--N 1.361 1.07 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG21 ' CB ' ' A' ' 27' ' ' PHE . 86.4 t -127.32 108.88 19.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 118.054 -1.458 . . . . 0.0 109.171 -173.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.01 110.97 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 110.787 -2.915 . . . . 0.0 107.493 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -85.96 104.42 15.57 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.99 -1.914 . . . . 0.0 107.076 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.82 -19.55 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 112.831 -1.986 . . . . 0.0 111.117 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.08 -172.19 23.18 Favored Glycine 0 C--N 1.355 1.61 0 CA-C-N 113.682 -1.599 . . . . 0.0 110.344 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 m -80.93 118.01 27.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 CA-C-N 112.605 -1.797 . . . . 0.0 108.095 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 134.56 2.29 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.051 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 1.5 m -104.47 52.98 0.74 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.503 -1.68 . . . . 0.0 111.486 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 m -162.49 118.88 1.95 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -28.86 67.14 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.128 -1.851 . . . . 0.0 111.876 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.95 -33.15 62.07 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.732 1.27 . . . . 0.0 112.102 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.23 -27.08 30.19 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 113.991 -1.458 . . . . 0.0 112.311 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -47.1 25.5 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.003 0.906 . . . . 0.0 110.005 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.8 mt -49.91 -32.53 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 129.805 3.242 . . . . 0.0 112.05 158.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -36.52 79.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 116.854 -1.938 . . . . 0.0 109.622 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.89 -55.13 14.01 Favored 'General case' 0 C--N 1.361 1.094 0 CA-C-O 115.179 -2.343 . . . . 0.0 111.412 158.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.56 70.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 113.026 -3.47 . . . . 0.0 116.717 -162.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.68 -53.16 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.722 167.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.58 -50.74 56.95 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 5' ' ' THR . 14.1 t -84.53 -44.14 13.86 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.704 -168.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.546 ' N ' HG23 ' A' ' 53' ' ' THR . 35.4 mttt 95.32 73.95 0.0 OUTLIER 'General case' 0 C--N 1.35 0.609 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.484 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -56.63 133.9 54.1 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 110.824 -2.898 . . . . 0.0 109.05 169.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -26.94 19.5 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.312 153.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD21 HG12 ' A' ' 6' ' ' ILE . 2.7 pt? -140.45 144.72 36.26 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.982 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.6 mt -120.33 129.54 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 111.185 -2.734 . . . . 0.0 108.307 176.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.19 138.27 51.11 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.969 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 121.78 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 111.595 -2.548 . . . . 0.0 107.132 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -115.09 112.81 23.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.188 1.555 . . . . 0.0 109.356 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 p -100.89 164.06 12.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.152 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 10' ' ' VAL . 88.7 mt -139.7 16.77 2.51 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.633 -160.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -166.95 -5.1 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -159.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 -4.8 67.97 Favored Glycine 0 CA--C 1.547 2.068 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.287 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.38 27.44 4.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.404 1.097 . . . . 0.0 109.265 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -76.06 -40.79 28.95 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-N 113.355 -1.748 . . . . 0.0 110.272 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.85 -32.19 69.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.601 -1.8 . . . . 0.0 112.319 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.96 -44.35 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.479 -172.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -48.55 17.08 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 73.7 m -56.56 -25.56 52.59 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.317 -2.22 . . . . 0.0 113.431 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -49.65 112.07 0.6 Allowed 'General case' 0 CA--C 1.548 0.9 0 O-C-N 124.763 1.29 . . . . 0.0 112.164 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.55 44.03 17.46 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.398 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 58' ' ' ILE . 1.8 tt -75.58 -29.47 59.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.615 0.832 . . . . 0.0 110.11 154.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 -61.82 -43.46 98.8 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 116.397 -2.121 . . . . 0.0 110.191 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.329 31.3 mt-10 -77.45 -26.29 51.32 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 117.716 2.487 . . . . 0.0 117.716 179.214 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.254 96.6 mttt -76.47 -29.59 56.95 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 125.193 1.558 . . . . 0.0 113.656 166.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.7 t -77.2 -35.26 55.84 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.388 1.566 . . . . 0.0 111.264 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -76.82 -34.0 57.93 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 110.293 -3.14 . . . . 0.0 109.358 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.329 0.0 OUTLIER -73.21 -29.86 63.1 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 116.492 -2.083 . . . . 0.0 112.891 176.74 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 0.26 13.54 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.328 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 34.64 47.12 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -134.67 37.67 3.08 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.983 -2.109 . . . . 0.0 109.501 -173.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 116.5 18.75 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.842 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.77 -34.55 0.87 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-N 111.703 -2.498 . . . . 0.0 107.41 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.1 mp -64.89 124.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 111.624 -2.288 . . . . 0.0 110.633 169.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.21 148.33 23.01 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 109.8 -3.364 . . . . 0.0 108.048 171.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 58' ' ' ILE . 49.0 mt -127.8 132.62 49.46 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.562 1.649 . . . . 0.0 112.043 -164.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -107.91 141.47 39.48 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 110.466 -3.061 . . . . 0.0 107.843 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.7 34.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 CA-C-N 112.854 -1.975 . . . . 0.0 107.432 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.49 152.17 22.33 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 113.205 -1.816 . . . . 0.0 111.665 -167.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.96 -130.63 10.31 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.611 -2.294 . . . . 0.0 109.765 171.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.0 76.17 9.86 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.762 1.267 . . . . 0.0 109.687 -172.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.8 pt -80.77 -49.02 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 111.462 -2.608 . . . . 0.0 111.287 -169.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.2 t -143.98 6.58 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 113.435 -1.711 . . . . 0.0 111.745 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -52.4 129.84 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 112.137 -2.302 . . . . 0.0 111.409 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.87 60.16 0.48 Allowed Glycine 0 C--N 1.346 1.089 0 CA-C-N 111.29 -2.687 . . . . 0.0 107.329 -165.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? 73.76 115.28 0.06 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 111.536 -2.332 . . . . 0.0 109.23 -168.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -161.82 147.25 13.34 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.55 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -162.47 110.95 1.37 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.528 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.427 ' H ' ' HE3' ' A' ' 101' ' ' TRP 0.391 1.7 m-90 8.19 -67.76 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 129.916 3.286 . . . . 0.0 119.139 163.291 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.8 -38.62 85.45 Favored 'Trans proline' 0 C--N 1.362 1.239 0 N-CA-C 115.567 1.334 . . . . 0.0 115.567 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.14 -46.71 15.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 113.252 -1.794 . . . . 0.0 111.332 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.16 -59.01 4.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.38 -174.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.39 -27.78 68.12 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 112.59 -2.095 . . . . 0.0 112.994 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -55.7 -35.53 66.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 117.656 -1.618 . . . . 0.0 112.112 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -52.99 11.45 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.265 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -68.42 -32.13 71.95 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.313 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -81.08 -28.42 35.28 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 125.175 1.547 . . . . 0.0 111.407 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.62 -29.63 66.65 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 124.299 1.0 . . . . 0.0 111.566 168.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 20.9 mmt -79.28 -43.68 23.19 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.65 10.57 9.23 Favored Glycine 0 CA--C 1.54 1.599 0 CA-C-N 113.425 -1.716 . . . . 0.0 114.11 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -52.17 115.98 1.98 Allowed 'General case' 0 C--N 1.36 1.028 0 CA-C-O 121.214 0.531 . . . . 0.0 111.089 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -36.82 -59.55 0.68 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 125.877 1.986 . . . . 0.0 112.951 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -145.11 156.15 43.73 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 124.826 1.329 . . . . 0.0 109.968 168.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -111.89 113.99 45.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.83 -2.441 . . . . 0.0 108.962 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HB3' HG21 ' A' ' 121' ' ' THR . 21.2 m-85 -88.93 143.79 31.95 Favored Pre-proline 0 C--N 1.359 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 111.747 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.02 179.82 0.53 Allowed 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.508 2.139 . . . . 0.0 114.822 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.74 117.66 4.58 Favored 'Trans proline' 0 C--N 1.363 1.308 0 C-N-CA 121.466 1.444 . . . . 0.0 110.643 165.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.33 66.94 1.6 Allowed Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.526 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.02 137.52 40.19 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.358 -1.921 . . . . 0.0 110.29 -177.272 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.56 157.16 0.75 Allowed Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.87 162.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.41 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.17 1.247 . . . . 0.0 112.909 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.25 -29.73 64.19 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.531 1.144 . . . . 0.0 111.467 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -72.56 -34.43 67.49 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 124.925 1.391 . . . . 0.0 112.02 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.71 -37.8 34.86 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 126.472 2.357 . . . . 0.0 108.965 -171.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 82.9 mt -75.22 -37.12 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.94 63.91 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.881 1.363 . . . . 0.0 111.033 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' THR . 58.9 t0 -59.75 -55.53 33.19 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.18 -2.208 . . . . 0.0 112.229 172.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.408 ' SD ' HD11 ' A' ' 6' ' ' ILE . 16.9 ptt? -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.906 0.754 . . . . 0.0 112.315 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.75 -57.07 14.52 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.525 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.5 -57.06 14.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.682 -1.599 . . . . 0.0 113.267 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.22 -47.07 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 112.523 -2.126 . . . . 0.0 113.278 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.31 8.97 19.29 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.193 0.933 . . . . 0.0 111.841 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.73 71.85 1.0 Allowed Glycine 0 C--N 1.355 1.627 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.548 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -146.4 162.44 9.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 112.897 -1.652 . . . . 0.0 107.052 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.869 177.79 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.74 -55.78 5.19 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.854 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 165.21 14.7 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.516 -2.129 . . . . 0.0 107.536 170.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 115.42 28.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.011 -1.904 . . . . 0.0 107.724 172.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 53' ' ' THR . 19.7 m -82.92 128.14 34.17 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 110.927 -2.851 . . . . 0.0 107.477 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 HG12 HG13 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -122.99 149.15 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.17 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 170.311 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 5.3 t -130.17 116.82 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.404 0 CA-C-N 108.954 -3.748 . . . . 0.0 103.245 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.7 129.01 50.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 103.284 -2.858 . . . . 0.0 103.284 167.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.32 142.95 14.79 Favored Glycine 0 C--N 1.344 0.975 0 N-CA-C 103.835 -3.706 . . . . 0.0 103.835 167.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t -98.03 120.63 47.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 117.878 -1.529 . . . . 0.0 107.003 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -100.62 117.74 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.295 -177.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.92 25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 CA-C-N 110.772 -2.922 . . . . 0.0 112.42 173.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.9 p 52.89 -155.44 0.19 Allowed 'General case' 0 C--N 1.361 1.069 0 O-C-N 124.973 1.043 . . . . 0.0 112.496 164.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.59 109.88 1.0 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.965 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.4 t -159.84 -77.24 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-N 112.914 -1.948 . . . . 0.0 108.529 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -163.28 -65.85 0.04 OUTLIER 'General case' 0 C--N 1.355 0.832 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 122.68 17.77 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 O-C-N 126.343 2.277 . . . . 0.0 110.337 -162.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.38 83.19 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-O 122.751 1.262 . . . . 0.0 109.924 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.9 -25.41 0.35 Allowed Glycine 0 CA--C 1.535 1.286 0 CA-C-N 112.475 -2.148 . . . . 0.0 110.389 -172.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -168.22 99.69 0.44 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.637 -1.282 . . . . 0.0 108.182 172.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -142.06 -32.79 0.5 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.819 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.51 -33.96 4.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.075 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -27.27 68.7 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.719 168.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.21 -56.19 23.49 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.486 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -75.18 -37.84 61.08 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 112.488 -2.142 . . . . 0.0 112.001 -172.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -75.94 -26.87 57.29 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.886 1.366 . . . . 0.0 113.377 -159.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -67.0 -39.45 87.11 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.855 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -35.59 81.37 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 112.429 -2.168 . . . . 0.0 110.673 177.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -71.87 -20.69 61.76 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.451 -2.159 . . . . 0.0 112.346 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.2 14.0 13.7 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.179 0.924 . . . . 0.0 110.617 -164.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.43 20.25 76.8 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.712 -175.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 151.74 19.65 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -79.41 104.64 10.16 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 6' ' ' ILE . 21.0 t -127.27 123.29 61.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 125.079 1.487 . . . . 0.0 110.356 -172.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 53' ' ' THR . 6.4 t -101.64 115.41 43.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 CA-C-N 111.449 -2.614 . . . . 0.0 107.883 173.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.97 97.96 10.55 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 112.244 -2.253 . . . . 0.0 108.238 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -68.82 -29.29 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 111.018 -2.81 . . . . 0.0 110.406 175.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.65 177.62 41.94 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.783 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.96 139.05 18.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 113.415 -1.393 . . . . 0.0 111.021 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -160.14 -49.33 0.05 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.53 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t 69.56 87.45 0.12 Allowed 'General case' 0 C--N 1.344 0.364 0 CA-C-N 111.444 -2.617 . . . . 0.0 111.397 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p 179.13 128.83 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 125.376 1.672 . . . . 0.0 110.229 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -47.81 -33.82 7.81 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.236 -2.256 . . . . 0.0 112.028 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.44 -39.45 73.14 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.623 1.202 . . . . 0.0 113.264 -170.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.97 -30.58 19.92 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 124.375 1.047 . . . . 0.0 110.807 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -35.69 58.98 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.728 1.252 . . . . 0.0 112.932 -172.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mt -50.01 -50.19 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 110.931 -2.849 . . . . 0.0 110.91 155.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.88 -28.7 70.02 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 125.127 1.517 . . . . 0.0 113.439 -171.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' A' ' 37' ' ' ILE . . . -73.97 -28.75 61.63 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.595 0.559 . . . . 0.0 111.257 171.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.36 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 116.797 -1.961 . . . . 0.0 113.228 165.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.79 -40.0 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.897 174.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -77.08 -50.31 13.35 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 113.553 -1.658 . . . . 0.0 111.353 -168.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 35' ' ' VAL . 12.6 p -100.32 -26.09 14.01 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 125.756 1.91 . . . . 0.0 114.907 -173.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 86.15 74.59 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.222 0 O-C-N 125.583 1.802 . . . . 0.0 109.992 172.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 142.21 55.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 109.758 -3.383 . . . . 0.0 111.866 -176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -90.25 -27.58 19.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 112.598 -2.092 . . . . 0.0 109.533 156.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.29 2.6 pt? -140.47 145.01 36.37 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 122.913 1.339 . . . . 0.0 113.143 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD22 ' A' ' 88' ' ' LEU . 17.3 mt -128.93 127.03 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 111.531 -2.577 . . . . 0.0 107.409 175.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -109.49 137.72 46.92 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 112.227 -2.261 . . . . 0.0 108.149 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.65 121.79 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 111.267 -2.697 . . . . 0.0 105.076 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -110.93 114.47 27.83 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.809 -1.996 . . . . 0.0 108.969 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -100.49 109.96 22.11 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 113.372 -1.74 . . . . 0.0 108.615 -158.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.22 -34.24 49.44 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 110.462 -3.063 . . . . 0.0 108.057 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.1 t80 100.13 40.21 0.0 OUTLIER 'General case' 0 C--N 1.352 0.701 0 CA-C-N 110.442 -3.072 . . . . 0.0 110.418 168.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.26 -43.28 32.51 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.441 -2.618 . . . . 0.0 108.742 157.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -155.35 65.62 0.63 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 112.677 -1.761 . . . . 0.0 109.936 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.04 -45.43 8.29 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 116.139 -2.934 . . . . 0.0 109.844 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.11 -37.76 33.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.216 -1.492 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.9 -44.51 51.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 112.818 -1.992 . . . . 0.0 110.599 -166.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 11' ' ' ILE . 14.1 t70 -77.43 -56.06 4.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.831 1.332 . . . . 0.0 111.554 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -63.79 -25.76 68.32 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.577 -163.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -59.54 111.82 1.55 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.224 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.77 25.36 69.86 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 113.734 -1.575 . . . . 0.0 113.267 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.47 -25.72 57.62 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.892 0.995 . . . . 0.0 110.814 155.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -42.23 99.34 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 118.234 -1.387 . . . . 0.0 109.524 168.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.346 12.1 tm-20 -77.61 -26.36 50.59 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 177.626 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -76.28 -29.21 57.32 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 126.145 2.153 . . . . 0.0 112.415 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.12 -34.43 56.67 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.826 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -67.87 -39.27 83.77 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 111.213 -2.721 . . . . 0.0 110.337 170.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.0 OUTLIER -72.52 -29.91 64.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 111.032 -2.804 . . . . 0.0 111.591 -177.565 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 0.98 11.48 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.624 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.03 35.28 44.72 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.3 mt -137.2 48.24 2.07 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 111.752 -2.224 . . . . 0.0 107.92 -175.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 114.41 23.82 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.71 171.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.92 -26.11 1.29 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-N 112.12 -2.309 . . . . 0.0 108.161 -168.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.487 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -67.99 124.88 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 111.919 -2.141 . . . . 0.0 109.795 165.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -87.89 139.4 30.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 111.161 -2.745 . . . . 0.0 107.686 160.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 58' ' ' ILE . 13.8 mt -109.86 141.01 43.15 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 122.986 1.374 . . . . 0.0 111.153 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -107.57 142.49 37.41 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 110.127 -3.215 . . . . 0.0 106.572 166.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 123.73 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 112.947 -1.933 . . . . 0.0 106.415 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 151.83 22.42 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.463 -170.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -149.57 18.16 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 112.594 -1.803 . . . . 0.0 109.608 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -88.54 84.19 6.77 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 168.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.92 -30.59 6.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 112.059 -2.337 . . . . 0.0 111.571 -162.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.01 -150.61 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 159.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.51 128.71 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.406 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.25 151.36 7.69 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 113.03 -1.895 . . . . 0.0 112.946 -171.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt 69.33 67.47 0.26 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.166 -2.017 . . . . 0.0 109.669 -169.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -54.94 134.76 48.77 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 111.681 -2.509 . . . . 0.0 110.881 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -125.94 88.43 2.85 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.24 -2.254 . . . . 0.0 107.835 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.26 8.6 m-90 -17.56 -56.79 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 178.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.02 -40.31 67.99 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 115.049 1.134 . . . . 0.0 115.049 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.07 -42.46 23.64 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.506 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.57 -59.21 3.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.087 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.85 -27.86 69.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.54 -1.209 . . . . 0.0 113.099 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -56.72 -39.49 74.01 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 117.665 -1.614 . . . . 0.0 112.339 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -53.32 8.8 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.387 1.054 . . . . 0.0 111.521 -175.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -75.13 -35.57 61.68 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.913 -1.494 . . . . 0.0 112.309 -169.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -75.82 -28.71 58.4 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.968 1.417 . . . . 0.0 111.477 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.29 -29.72 69.01 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 124.138 0.899 . . . . 0.0 111.671 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.4 mmt -69.24 -66.59 0.56 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.657 1.223 . . . . 0.0 109.063 164.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 144.55 44.91 0.04 OUTLIER Glycine 0 C--N 1.351 1.379 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.225 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -81.12 146.15 30.71 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.774 -1.713 . . . . 0.0 108.259 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.27 -45.65 17.55 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.1 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -145.03 146.81 32.04 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.527 1.142 . . . . 0.0 112.0 -163.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.9 t -123.3 113.97 39.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.688 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -87.95 147.2 40.34 Favored Pre-proline 0 C--N 1.36 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.723 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.59 179.19 0.19 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.693 2.262 . . . . 0.0 114.18 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.43 117.68 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 121.369 1.38 . . . . 0.0 109.304 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.81 70.17 1.33 Allowed Glycine 0 C--N 1.35 1.338 0 CA-C-N 113.356 -1.747 . . . . 0.0 110.746 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.48 40.31 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.023 -2.088 . . . . 0.0 109.502 -175.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -55.49 155.05 10.81 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 112.722 -2.036 . . . . 0.0 109.778 161.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.13 -11.13 9.95 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 120.566 0.844 . . . . 0.0 113.393 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.93 -29.79 70.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -71.82 -35.97 70.08 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.312 177.817 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.44 -36.1 39.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 126.024 2.078 . . . . 0.0 108.865 -170.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.8 mt -75.13 -39.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 111.382 -2.644 . . . . 0.0 110.455 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.41 63.97 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.169 1.543 . . . . 0.0 110.956 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.7 t0 -65.14 -52.29 56.04 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.412 173.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 12.1 ptp -66.88 -28.85 68.66 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.5 -57.0 12.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 114.451 -1.249 . . . . 0.0 109.373 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.15 -49.99 74.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 112.919 -1.946 . . . . 0.0 114.092 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.51 -47.07 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.279 -1.782 . . . . 0.0 112.145 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 63.6 mt -82.45 -4.63 57.78 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.93 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 73.9 0.93 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.66 165.3 14.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.299 -1.951 . . . . 0.0 107.025 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 113.342 -1.754 . . . . 0.0 108.315 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.2 mtp . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -82.54 -53.83 5.65 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.7 165.23 17.6 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.281 -1.782 . . . . 0.0 108.228 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -100.68 109.75 21.81 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 112.635 -2.075 . . . . 0.0 106.396 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 53' ' ' THR . 24.1 m -89.48 137.21 32.52 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 125.497 1.748 . . . . 0.0 107.111 166.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.93 122.81 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 110.232 -3.167 . . . . 0.0 102.665 162.373 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.6 t -99.8 137.29 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.262 -3.608 . . . . 0.0 102.097 176.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 4.1 pp -132.23 129.29 39.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 116.572 -2.051 . . . . 0.0 107.851 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.59 145.14 15.93 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.503 163.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.72 120.67 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.582 HG21 ' SG ' ' A' ' 71' ' ' CYS . 3.4 tt -96.77 117.76 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 112.527 -2.124 . . . . 0.0 106.342 -169.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.85 -44.16 0.07 OUTLIER Glycine 0 C--N 1.347 1.145 0 CA-C-N 111.825 -2.443 . . . . 0.0 112.428 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.444 ' HB2' ' H ' ' A' ' 41' ' ' SER . 46.8 t 59.48 30.95 20.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.538 -1.331 . . . . 0.0 111.414 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -177.24 128.19 0.15 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.291 -2.232 . . . . 0.0 106.654 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 p 114.62 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.728 2.411 . . . . 0.0 107.477 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -156.67 44.35 0.39 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.785 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.14 63.1 1.29 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.886 -1.961 . . . . 0.0 110.294 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.4 t -82.87 113.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 112.251 -2.25 . . . . 0.0 108.944 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.43 18.15 79.87 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.046 -1.888 . . . . 0.0 112.225 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -131.87 -25.7 2.04 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.626 -1.287 . . . . 0.0 110.361 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -24.09 58.4 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.546 1.154 . . . . 0.0 111.331 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.92 -52.28 51.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 114.308 -1.314 . . . . 0.0 108.367 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.29 -45.86 69.09 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.308 -2.678 . . . . 0.0 112.042 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -55.59 -56.05 24.88 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.285 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -59.13 -31.98 69.44 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.667 -2.06 . . . . 0.0 112.28 -174.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -72.67 -33.21 66.38 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.155 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.6 m-30 -76.16 -38.21 56.96 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.671 1.232 . . . . 0.0 110.369 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -34.25 77.91 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.019 -1.901 . . . . 0.0 110.041 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -73.97 -20.57 60.31 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.541 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.43 -0.45 37.22 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.696 0.622 . . . . 0.0 111.079 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.67 20.47 73.98 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.618 -171.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.94 155.54 19.45 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.691 -1.604 . . . . 0.0 106.847 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -77.77 109.25 11.62 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 165.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.0 112.16 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 113.518 -1.674 . . . . 0.0 108.956 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.83 110.57 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 110.747 -2.933 . . . . 0.0 104.903 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -92.79 97.77 10.97 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -178.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -80.99 -36.33 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.216 -165.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.99 -176.79 22.21 Favored Glycine 0 C--N 1.355 1.619 0 CA-C-N 114.063 -1.426 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.24 117.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 113.147 -1.526 . . . . 0.0 109.931 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.19 100.48 0.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.111 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.444 ' H ' ' HB2' ' A' ' 13' ' ' SER . 8.8 t -53.79 108.48 0.36 Allowed 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.768 1.292 . . . . 0.0 113.029 -172.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.96 108.23 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 O-C-N 125.475 1.734 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -47.97 -51.61 23.01 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.802 -1.999 . . . . 0.0 111.625 160.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.26 -29.47 61.14 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.97 1.419 . . . . 0.0 112.784 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.18 -42.6 62.55 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -76.36 -37.36 57.37 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.05 1.405 . . . . 0.0 112.846 -174.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.7 -34.85 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 110.418 -3.083 . . . . 0.0 112.0 161.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.52 -35.17 73.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.909 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.859 ' O ' HG22 ' A' ' 53' ' ' THR . . . -64.07 -28.94 70.13 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 116.084 -1.912 . . . . 0.0 111.534 166.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.747 1.158 . . . . 0.0 113.831 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.2 -37.06 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.014 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -76.56 -50.93 12.67 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.36 -1.745 . . . . 0.0 112.373 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 5' ' ' THR . 1.2 t -83.78 -38.19 21.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.037 -170.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 53' ' ' THR . 50.3 mttp 83.25 84.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.765 0 CA-C-N 111.174 -2.739 . . . . 0.0 109.446 -164.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -79.92 134.54 36.29 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -90.35 -23.92 20.98 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.917 1.385 . . . . 0.0 110.312 159.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.316 2.7 pt? -140.46 144.97 36.35 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 123.116 1.436 . . . . 0.0 112.832 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 22.9 mt -128.04 118.68 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 110.592 -3.004 . . . . 0.0 107.111 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 8' ' ' LEU . 25.3 p -115.51 114.9 25.62 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.679 1.237 . . . . 0.0 111.434 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.08 121.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.396 -2.184 . . . . 0.0 106.638 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.4 t -115.27 112.79 22.97 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.968 1.417 . . . . 0.0 109.444 -176.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 152.5 20.4 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.148 -1.842 . . . . 0.0 108.22 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt -134.19 20.39 3.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 125.623 1.827 . . . . 0.0 110.587 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.52 -177.16 5.55 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 122.122 0.963 . . . . 0.0 109.483 -169.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.77 36.12 3.51 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-N 112.291 -2.232 . . . . 0.0 111.187 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -137.37 15.52 2.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.827 -1.187 . . . . 0.0 109.441 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.36 52.97 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 113.417 -1.719 . . . . 0.0 110.62 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.85 -31.04 61.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.171 -2.015 . . . . 0.0 110.089 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mm -91.05 -44.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.861 -167.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -77.64 -56.11 4.79 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.318 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.582 ' SG ' HG21 ' A' ' 11' ' ' ILE . 13.1 m -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.239 1.587 . . . . 0.0 113.073 -158.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -69.4 131.12 44.29 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.282 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.537 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 93.68 18.75 36.89 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 112.707 -2.042 . . . . 0.0 112.338 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -75.54 -25.82 57.49 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.724 0.896 . . . . 0.0 111.196 157.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -58.57 -51.81 68.32 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.288 0.992 . . . . 0.0 109.402 172.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.44 27.5 tt0 -77.56 -26.26 50.72 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 177.178 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.342 29.4 ttmt -76.14 -29.21 57.72 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 125.175 1.547 . . . . 0.0 113.097 168.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.02 -35.85 56.66 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 122.98 1.371 . . . . 0.0 109.845 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.44 -43.83 98.17 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 110.78 -2.918 . . . . 0.0 110.31 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.306 0.0 OUTLIER -73.06 -30.02 63.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 110.256 -3.156 . . . . 0.0 112.391 -176.409 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 1.01 11.56 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.701 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.97 35.43 44.59 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 86' ' ' ILE . 78.9 mt -141.0 54.35 1.57 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 111.597 -2.302 . . . . 0.0 107.761 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 115.22 27.16 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.521 -2.127 . . . . 0.0 108.726 172.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.92 -22.47 2.13 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 111.916 -2.402 . . . . 0.0 108.114 -167.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -68.16 124.94 24.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 111.956 -2.122 . . . . 0.0 109.359 167.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -88.92 148.86 23.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 111.197 -2.729 . . . . 0.0 108.049 159.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.545 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 57.1 mt -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.733 -170.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -107.73 153.24 23.24 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.182 -2.281 . . . . 0.0 106.887 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.25 123.84 34.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.26 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.72 152.1 18.14 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.248 -168.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 -146.27 18.13 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 113.35 -1.425 . . . . 0.0 112.14 167.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -85.45 75.92 10.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 112.658 -1.771 . . . . 0.0 107.822 169.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -24.92 28.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.359 -2.201 . . . . 0.0 111.39 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 96' ' ' VAL . 4.1 t -105.29 169.82 2.25 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 171.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.426 ' H ' HG12 ' A' ' 95' ' ' VAL . 7.7 p -65.07 98.94 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 124.84 1.337 . . . . 0.0 111.13 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.49 47.4 83.95 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-N 112.637 -2.074 . . . . 0.0 111.815 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 64.7 168.32 0.18 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 113.335 -1.432 . . . . 0.0 111.501 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -150.78 -125.5 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.214 -1.812 . . . . 0.0 108.442 171.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -143.58 101.23 3.74 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.0 0.812 . . . . 0.0 110.588 -168.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.301 3.0 m-90 -12.49 -56.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 171.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.62 -39.71 87.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 120.562 1.237 . . . . 0.0 114.301 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.01 -38.89 31.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.197 -2.274 . . . . 0.0 111.773 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.08 -44.93 27.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.697 1.248 . . . . 0.0 111.75 -169.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -70.87 -27.97 64.22 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.139 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -61.64 -42.36 98.78 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.632 169.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.96 -51.51 18.12 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.992 -1.458 . . . . 0.0 111.849 -169.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -75.0 -32.45 61.65 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.289 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -78.13 -28.9 48.56 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.622 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.02 67.41 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.681 1.238 . . . . 0.0 110.719 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.537 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -74.55 -43.14 57.15 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.277 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.5 -41.59 0.24 Allowed Glycine 0 C--N 1.355 1.592 0 C-N-CA 119.187 -1.482 . . . . 0.0 112.835 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -49.52 146.44 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 122.387 1.089 . . . . 0.0 113.056 -171.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -79.32 -50.53 10.74 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 112.793 -2.003 . . . . 0.0 109.946 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -145.28 151.11 37.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.355 -164.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.0 t -123.34 122.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.721 1.888 . . . . 0.0 110.324 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE2' HG23 ' A' ' 126' ' ' THR . 30.3 m-85 -98.66 147.1 32.71 Favored Pre-proline 0 C--N 1.361 1.104 0 O-C-N 124.241 0.963 . . . . 0.0 111.242 165.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -66.04 -176.84 0.67 Allowed 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.302 2.002 . . . . 0.0 113.781 171.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.25 125.33 1.83 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.935 2.423 . . . . 0.0 110.635 164.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.91 48.71 6.41 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 137.66 32.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.881 -2.159 . . . . 0.0 108.804 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.32 147.0 8.08 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.608 158.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.04 -13.81 8.89 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 O-C-N 122.878 0.936 . . . . 0.0 113.346 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.67 -29.67 69.74 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.22 -40.22 90.14 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.872 -1.513 . . . . 0.0 112.489 176.437 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 4.9 m -79.43 -34.97 41.19 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 126.077 2.111 . . . . 0.0 109.341 -170.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -41.78 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.919 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.45 -31.73 63.97 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.09 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 64.4 t0 -64.82 -47.48 77.84 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 116.78 -1.968 . . . . 0.0 112.453 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 13.6 ptp -68.42 -28.89 67.48 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.43 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.67 -53.36 55.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.134 0.968 . . . . 0.0 109.722 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.07 -51.71 68.89 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.3 -2.227 . . . . 0.0 113.938 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.95 -39.37 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.257 -174.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.9 mt -86.46 -5.49 59.15 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.442 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.22 72.34 0.99 Allowed Glycine 0 C--N 1.355 1.615 0 O-C-N 124.491 1.119 . . . . 0.0 110.755 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.0 t -138.43 154.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 CA-C-N 112.383 -1.908 . . . . 0.0 107.779 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 111.669 -2.514 . . . . 0.0 109.346 -168.289 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.624 0.726 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.22 -66.93 0.79 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.044 -174.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 165.32 11.28 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.506 -1.679 . . . . 0.0 109.202 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.95 109.78 21.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.814 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.9 m -93.28 142.06 27.74 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 111.476 -2.602 . . . . 0.0 106.857 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 57' ' ' LEU . 1.1 mt -124.92 149.34 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.685 0 CA-C-N 109.851 -3.34 . . . . 0.0 103.557 173.102 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -130.04 125.38 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 CA-C-N 109.097 -3.683 . . . . 0.0 103.068 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.5 129.23 52.8 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 162.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.11 15.93 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.477 -2.147 . . . . 0.0 107.809 166.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.8 t -98.03 120.72 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -96.85 140.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 111.738 -2.483 . . . . 0.0 109.569 -169.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.42 -136.82 13.7 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 110.355 -3.111 . . . . 0.0 108.21 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.6 p -176.8 21.52 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 111.882 -2.159 . . . . 0.0 110.769 -166.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.15 127.85 21.76 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.389 -166.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 t 59.72 27.35 16.6 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.068 -2.333 . . . . 0.0 112.438 176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.4 m80 50.68 -108.69 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 113.416 -1.72 . . . . 0.0 112.333 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.98 51.38 1.61 Allowed 'General case' 0 C--N 1.353 0.743 0 O-C-N 125.088 1.492 . . . . 0.0 110.089 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.27 111.48 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 112.842 -1.981 . . . . 0.0 108.421 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.68 -57.73 0.58 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.825 -1.989 . . . . 0.0 109.039 -173.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -80.22 75.81 7.0 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.24 -1.98 . . . . 0.0 108.991 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -152.2 -51.68 0.11 Allowed 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.922 -1.944 . . . . 0.0 107.994 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -38.58 60.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.191 -2.277 . . . . 0.0 107.287 166.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -97.51 67.79 2.1 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.172 -2.285 . . . . 0.0 108.308 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -157.14 -69.82 0.1 Allowed 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.17 -1.832 . . . . 0.0 109.069 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -67.95 -16.59 64.13 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.98 -177.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -63.18 -46.83 85.27 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.977 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.78 -39.35 66.82 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 125.061 1.476 . . . . 0.0 109.373 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -24.77 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 111.795 -2.457 . . . . 0.0 111.779 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -114.03 25.71 10.92 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.583 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.5 6.04 49.57 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.55 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.89 25.64 74.4 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.767 -1.561 . . . . 0.0 111.308 -172.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -99.78 161.09 13.82 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.99 107.19 13.59 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 161.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 32' ' ' PHE . 15.0 t -127.11 139.15 52.71 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 114.219 -1.355 . . . . 0.0 108.027 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.52 110.69 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 111.382 -2.644 . . . . 0.0 106.728 -170.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.93 97.64 10.35 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.55 -1.659 . . . . 0.0 106.847 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.542 HD13 ' C ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.28 -42.15 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 112.769 -2.014 . . . . 0.0 111.413 -175.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.65 129.73 1.15 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 116.117 -2.945 . . . . 0.0 112.412 -171.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.58 142.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.746 -2.227 . . . . 0.0 106.964 165.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.91 56.42 0.22 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 125.338 1.648 . . . . 0.0 107.78 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 m -156.91 -169.76 3.07 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 111.556 -2.566 . . . . 0.0 107.504 -163.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -161.72 170.82 18.95 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 123.102 1.43 . . . . 0.0 111.683 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HB2' HD13 ' A' ' 74' ' ' LEU . 8.8 pt20 -51.25 -28.88 12.86 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 110.972 -2.831 . . . . 0.0 116.852 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.49 -37.16 84.91 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.321 1.013 . . . . 0.0 111.497 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.46 -23.26 30.0 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.104 -1.862 . . . . 0.0 111.448 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' CD1' HD12 ' A' ' 37' ' ' ILE . 1.3 m-30 -76.45 -32.98 58.75 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-O 123.302 1.525 . . . . 0.0 113.037 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.474 HG13 ' SG ' ' A' ' 78' ' ' CYS . 1.3 mt -49.69 -48.06 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 109.935 -3.302 . . . . 0.0 109.685 160.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.94 -28.82 67.8 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.026 1.454 . . . . 0.0 112.945 -174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.88 61.59 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.891 0.744 . . . . 0.0 110.983 172.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.46 64.57 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 115.198 -2.601 . . . . 0.0 112.375 168.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.65 -40.4 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.025 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -77.04 -50.49 12.98 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.809 -1.541 . . . . 0.0 112.787 -169.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -99.13 -28.74 13.23 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 125.472 1.732 . . . . 0.0 114.022 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 93.47 63.61 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 O-C-N 126.009 2.068 . . . . 0.0 110.98 170.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -88.1 134.19 33.82 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 110.36 -3.109 . . . . 0.0 111.505 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -89.72 -31.8 17.3 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.661 168.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.657 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.1 mp -91.73 136.43 33.15 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.457 169.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.5 mt -132.18 124.2 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 110.001 -3.272 . . . . 0.0 108.242 156.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.0 m -115.14 114.76 25.72 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.408 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.92 121.59 53.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 112.367 -2.197 . . . . 0.0 105.687 177.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.16 112.83 23.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.012 -1.904 . . . . 0.0 108.217 -172.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 m -101.38 133.11 46.48 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.901 -165.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.51 56.96 0.11 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.896 171.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -148.13 7.34 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 112.866 -1.97 . . . . 0.0 112.049 170.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.79 -0.47 89.5 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 115.158 -0.928 . . . . 0.0 114.571 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -136.57 34.39 2.71 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 122.3 1.048 . . . . 0.0 110.111 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.05 -28.17 50.62 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.389 173.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.5 -27.97 69.52 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 112.608 -1.796 . . . . 0.0 112.005 170.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 -44.49 16.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.525 -173.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.45 -56.32 4.64 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.99 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 m -59.33 -25.97 64.64 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.466 -165.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -59.22 111.73 1.46 Allowed 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.656 1.222 . . . . 0.0 111.931 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . . . 80.37 33.11 32.68 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 112.143 -2.299 . . . . 0.0 111.289 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 43' ' ' GLN . 29.7 tp -75.78 -32.38 59.89 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 125.482 1.342 . . . . 0.0 112.914 164.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -47.78 83.41 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.106 174.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' ASP 0.465 15.7 tt0 -77.44 -26.3 51.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 175.48 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.309 62.1 tttp -75.99 -29.07 58.07 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 125.011 1.444 . . . . 0.0 113.064 169.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.551 ' CB ' HG21 ' A' ' 86' ' ' ILE . 87.5 m -77.32 -41.75 39.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 125.095 1.497 . . . . 0.0 110.751 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 12.9 t70 -57.64 -45.91 84.85 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 110.115 -3.22 . . . . 0.0 108.463 171.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.295 35.9 mt-10 -73.05 -29.59 63.08 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 110.343 -3.117 . . . . 0.0 112.548 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.68 4.5 4.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.566 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.13 35.14 15.8 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.299 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -100.24 -116.63 0.16 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.795 -1.702 . . . . 0.0 107.361 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.262 6.8 mptt -108.94 -157.28 0.61 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-O 122.97 1.367 . . . . 0.0 110.67 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.04 53.21 1.06 Allowed Glycine 0 N--CA 1.437 -1.297 1 N-CA-C 102.107 -4.397 . . . . 0.0 102.107 152.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.551 HG21 ' CB ' ' A' ' 78' ' ' CYS 0.308 3.7 tt -63.65 124.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 109.749 -3.225 . . . . 0.0 110.71 -166.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.9 mttm -88.01 117.02 26.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 109.857 -3.338 . . . . 0.0 108.385 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.65 HD22 ' HB ' ' A' ' 58' ' ' ILE . 6.2 mt -113.5 143.33 44.7 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 111.796 -2.456 . . . . 0.0 108.205 -173.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -107.9 143.03 37.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 110.602 -2.999 . . . . 0.0 105.602 169.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.12 123.59 34.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.66 152.02 23.53 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 118.277 -1.916 . . . . 0.0 113.219 -164.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.08 90.7 0.23 Allowed Glycine 0 C--N 1.353 1.481 0 CA-C-N 110.972 -2.614 . . . . 0.0 112.38 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 52.52 70.51 0.56 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 125.376 1.28 . . . . 0.0 111.748 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -103.33 -45.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.015 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.32 12.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.927 1.392 . . . . 0.0 113.325 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 p -38.24 124.97 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 111.801 -2.454 . . . . 0.0 111.879 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.63 106.25 1.66 Allowed Glycine 0 C--N 1.35 1.311 0 CA-C-N 112.597 -2.092 . . . . 0.0 109.919 -174.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 66.3 34.82 6.21 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.624 -1.788 . . . . 0.0 112.497 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -172.67 149.48 2.05 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.332 172.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -149.08 138.51 21.67 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.396 -1.729 . . . . 0.0 109.205 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.418 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.509 1.5 m-90 10.81 -66.7 0.0 OUTLIER Pre-proline 0 C--N 1.347 0.495 0 N-CA-C 121.109 3.744 . . . . 0.0 121.109 166.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.55 -31.67 32.26 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 CA-C-N 120.955 1.377 . . . . 0.0 115.514 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -80.06 -45.51 18.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 112.779 -2.01 . . . . 0.0 111.575 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.53 -55.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 124.775 1.297 . . . . 0.0 110.829 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.28 -45.59 72.52 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.666 1.229 . . . . 0.0 112.53 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -55.54 -49.4 72.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 119.054 -1.058 . . . . 0.0 112.391 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -78.06 -53.0 7.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 113.268 -1.787 . . . . 0.0 112.09 -168.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.84 -46.01 86.99 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.238 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -72.23 -33.43 67.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 113.816 -1.538 . . . . 0.0 112.066 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.79 92.89 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.689 1.243 . . . . 0.0 112.273 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.41 ' HE1' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -89.6 -1.62 58.08 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.725 -174.787 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.13 -75.8 0.08 OUTLIER Glycine 0 C--N 1.354 1.533 0 C-N-CA 118.458 -1.83 . . . . 0.0 111.724 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -48.85 146.12 3.43 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 123.023 1.392 . . . . 0.0 113.735 -163.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -59.09 2.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 111.553 -2.567 . . . . 0.0 109.316 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -145.12 154.89 42.94 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.838 -1.528 . . . . 0.0 109.742 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HE1' ' A' ' 101' ' ' TRP . 15.0 t -123.29 136.93 58.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.452 171.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.34 116.77 66.79 Favored Pre-proline 0 C--N 1.358 0.951 0 O-C-N 124.429 1.081 . . . . 0.0 111.688 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.18 127.69 26.7 Favored 'Trans proline' 0 C--N 1.373 1.854 0 O-C-N 123.165 1.087 . . . . 0.0 112.399 164.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.3 112.87 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 121.13 1.22 . . . . 0.0 111.372 -170.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.47 -6.14 3.56 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-N 111.947 -2.388 . . . . 0.0 111.709 -169.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 m -76.03 137.02 39.95 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 121.879 0.847 . . . . 0.0 109.537 -179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 p -69.55 162.56 66.18 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 112.397 -2.183 . . . . 0.0 109.345 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -80.81 -9.94 13.06 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 120.708 0.939 . . . . 0.0 113.985 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -29.85 69.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 124.015 0.822 . . . . 0.0 110.399 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -72.56 -34.65 67.65 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 113.682 -1.599 . . . . 0.0 112.601 175.61 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.4 m -79.7 -33.21 41.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 126.678 2.486 . . . . 0.0 109.023 -172.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.15 -37.69 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 112.138 -2.301 . . . . 0.0 109.785 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.85 64.37 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.947 -1.478 . . . . 0.0 110.925 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.8 t0 -61.6 -55.27 32.54 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.505 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 6' ' ' ILE . 20.2 ptp -63.7 -39.77 95.14 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.311 1.007 . . . . 0.0 111.493 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.88 -55.34 23.46 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.471 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.04 -34.26 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.27 -1.332 . . . . 0.0 114.137 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.63 -39.17 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.421 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.5 mt -91.5 7.88 39.13 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 124.07 0.856 . . . . 0.0 111.866 -169.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 82.43 52.41 3.98 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.285 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.57 165.11 10.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 112.203 -1.998 . . . . 0.0 106.259 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 CA--C 1.548 0.902 0 O-C-N 124.596 1.185 . . . . 0.0 111.271 174.22 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.752 0.787 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.85 -20.41 0.65 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.472 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 165.33 22.23 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.057 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.07 116.66 32.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.044 -1.889 . . . . 0.0 107.952 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -90.94 134.93 34.08 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 112.592 -2.095 . . . . 0.0 106.853 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 149.47 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 C-N-CA 130.318 3.447 . . . . 0.0 103.828 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 37' ' ' ILE 0.272 1.6 t -124.67 143.07 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 CA-C-N 108.723 -3.853 . . . . 0.0 104.144 -175.83 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.1 pp -132.23 128.78 38.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 115.136 -2.625 . . . . 0.0 110.187 156.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.94 143.3 14.8 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 111.493 -2.594 . . . . 0.0 108.228 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.581 HG21 ' HB2' ' A' ' 17' ' ' ALA . 21.9 t -97.68 121.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 117.257 -1.777 . . . . 0.0 106.568 -177.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -105.54 127.52 60.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.766 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.35 64.33 2.66 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 112.632 -2.076 . . . . 0.0 109.199 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.3 p -151.73 -108.2 0.05 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 111.23 -2.485 . . . . 0.0 109.715 -167.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' H ' HG22 ' A' ' 39' ' ' VAL . 28.3 t70 69.24 50.77 0.54 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 113.703 -1.589 . . . . 0.0 110.872 177.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 p -167.61 -63.1 0.03 OUTLIER 'General case' 0 C--N 1.351 0.634 0 CA-C-N 113.384 -1.734 . . . . 0.0 109.636 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -162.91 125.5 2.7 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.363 -1.744 . . . . 0.0 107.702 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 10' ' ' VAL . . . -84.63 86.81 7.27 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.24 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.67 113.97 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 113.272 -1.785 . . . . 0.0 109.577 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 -63.43 0.36 Allowed Glycine 0 C--N 1.348 1.242 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.193 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.49 54.01 2.61 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.996 -1.602 . . . . 0.0 110.153 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -77.31 -63.15 1.44 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.145 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -155.75 78.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.587 0 CA-C-N 111.998 -2.364 . . . . 0.0 109.179 -175.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.16 40.73 1.15 Allowed 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.593 -2.094 . . . . 0.0 110.387 169.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.27 53.06 2.38 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 112.755 -2.021 . . . . 0.0 108.65 168.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -144.44 33.2 1.18 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.694 -2.503 . . . . 0.0 106.94 168.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -157.37 18.37 0.28 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.832 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.19 -44.51 1.59 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.751 -1.568 . . . . 0.0 106.965 154.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -32.54 74.07 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.017 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -76.65 11.0 1.83 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.419 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 -0.46 50.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.152 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.32 30.01 67.64 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.059 -168.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -93.45 153.37 18.52 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 118.721 -1.192 . . . . 0.0 107.836 -177.421 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.77 104.71 9.57 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 165.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 32' ' ' PHE . 61.8 t -120.09 129.22 75.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.49 -174.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.85 110.99 29.02 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.586 -165.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -86.01 117.37 24.81 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.831 -1.986 . . . . 0.0 108.648 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.572 HD11 HG13 ' A' ' 7' ' ' VAL . 7.8 mm -81.82 -37.54 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 111.25 -2.704 . . . . 0.0 110.092 -172.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.82 -171.54 15.1 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.072 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 14' ' ' ASP . 13.9 p -109.11 132.07 58.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 112.696 -1.752 . . . . 0.0 109.009 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -163.97 -132.12 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.386 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -179.5 76.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 160.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -167.66 104.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.834 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.4 -28.95 70.14 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 112.021 -2.354 . . . . 0.0 114.636 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.47 -16.94 64.15 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 125.081 1.488 . . . . 0.0 111.962 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -83.66 -37.5 22.72 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . 0.255 0.0 OUTLIER -76.07 -27.65 57.32 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 118.472 -1.291 . . . . 0.0 113.306 -178.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -55.31 -41.12 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-N 111.045 -2.798 . . . . 0.0 112.391 158.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -69.4 -28.96 66.62 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.083 0.864 . . . . 0.0 110.869 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.65 -28.83 62.97 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.008 167.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -69.38 -30.37 68.35 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 115.833 -2.347 . . . . 0.0 113.792 168.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.18 -42.57 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.931 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -77.05 -50.39 13.2 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.885 -168.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.8 p -93.74 -27.05 16.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.092 -171.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.6 mttt 100.01 44.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 126.544 2.402 . . . . 0.0 110.056 167.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -65.0 122.93 18.17 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.525 -2.58 . . . . 0.0 110.562 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.75 -22.66 34.3 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 126.333 2.271 . . . . 0.0 109.033 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 2.4 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 123.367 1.556 . . . . 0.0 112.925 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 78' ' ' CYS . 33.4 mt -123.64 112.39 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 110.283 -3.144 . . . . 0.0 108.127 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 53.0 t -115.1 114.51 25.43 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 125.227 1.579 . . . . 0.0 109.814 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.18 148.17 7.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.2 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.87 112.72 25.81 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.737 -2.029 . . . . 0.0 106.754 164.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.6 p -100.98 122.11 42.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.634 -2.075 . . . . 0.0 107.47 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -86.42 -28.28 23.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.95 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 t80 86.79 153.63 0.07 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 112.455 -2.157 . . . . 0.0 108.553 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.91 -44.76 1.27 Allowed Glycine 0 C--N 1.34 0.801 0 N-CA-C 105.437 -3.065 . . . . 0.0 105.437 -151.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -157.75 54.18 0.47 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 112.424 -1.888 . . . . 0.0 109.407 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.06 -45.56 8.2 Favored Glycine 0 C--N 1.36 1.878 0 C-N-CA 115.818 -3.086 . . . . 0.0 110.437 -177.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -80.22 -31.79 38.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.904 -1.648 . . . . 0.0 111.402 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.172 -166.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -77.08 -53.19 8.09 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.675 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 97.4 m -55.27 -25.85 36.42 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.962 1.414 . . . . 0.0 114.68 -168.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.56 111.68 1.69 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 123.917 0.761 . . . . 0.0 109.544 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.55 27.41 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 113.221 -1.808 . . . . 0.0 112.0 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -33.67 60.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.625 0.838 . . . . 0.0 110.894 158.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -60.48 -39.67 88.49 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 124.694 1.246 . . . . 0.0 109.918 167.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.277 22.6 mt-10 -77.63 -26.57 50.62 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 14.1 mptt -76.37 -29.4 57.15 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 125.651 1.844 . . . . 0.0 112.729 166.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 58' ' ' ILE . 94.8 m -77.05 -37.05 55.47 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 125.418 1.699 . . . . 0.0 110.923 173.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.77 -42.5 86.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 110.393 -3.094 . . . . 0.0 109.338 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.313 24.4 mm-40 -73.26 -29.79 63.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 109.787 -3.369 . . . . 0.0 113.046 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.5 23.78 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.385 -1.734 . . . . 0.0 112.878 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 39.13 34.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -141.37 33.23 1.68 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 111.623 -2.288 . . . . 0.0 109.987 -170.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -75.6 115.09 14.91 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.145 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.14 -29.74 0.98 Allowed Glycine 0 C--N 1.345 1.08 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.802 -172.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.9 124.94 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 111.746 -2.227 . . . . 0.0 110.814 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.85 138.53 31.37 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 109.23 -3.623 . . . . 0.0 107.598 171.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD22 ' HB ' ' A' ' 58' ' ' ILE . 22.0 mt -123.09 133.38 54.3 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.55 -166.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 13.1 m-30 -107.69 137.44 45.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 109.786 -3.37 . . . . 0.0 107.659 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.19 123.96 34.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.867 -1.969 . . . . 0.0 107.505 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.2 150.79 20.09 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 119.415 -1.374 . . . . 0.0 113.703 -164.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.66 -130.51 9.84 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-N 110.661 -2.77 . . . . 0.0 110.913 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -87.48 79.82 8.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.249 -1.476 . . . . 0.0 109.846 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.9 pt -79.48 -35.26 16.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.138 -2.301 . . . . 0.0 110.939 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.3 t -141.1 163.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -111.73 40.83 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.23 -171.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 78.97 12.58 83.99 Favored Glycine 0 CA--C 1.539 1.541 0 CA-C-N 113.112 -1.858 . . . . 0.0 113.498 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -73.44 83.14 1.46 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.991 0.9 . . . . 0.0 108.665 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 67.16 174.21 0.26 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 112.419 -2.173 . . . . 0.0 110.27 -167.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -142.83 142.06 31.75 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.798 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.581 1.4 m-90 35.69 -74.65 0.0 OUTLIER Pre-proline 0 C--N 1.353 0.747 0 C-N-CA 130.742 3.617 . . . . 0.0 119.787 167.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.55 -37.68 34.36 Favored 'Trans proline' 0 CA--C 1.554 1.491 0 CA-C-N 120.973 1.383 . . . . 0.0 114.85 168.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.26 -45.33 18.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.833 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.8 t -75.14 -36.01 36.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 124.563 1.164 . . . . 0.0 111.283 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.12 -34.26 63.84 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.169 173.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.37 -37.87 79.02 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.504 -1.279 . . . . 0.0 111.324 171.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -73.27 -53.03 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.984 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.09 -43.83 50.76 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.458 -169.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -71.25 -28.69 64.35 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.199 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.91 71.95 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.423 1.077 . . . . 0.0 112.515 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.7 mmt -66.72 -41.08 88.52 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.939 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.88 -14.98 0.34 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.141 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -50.98 129.73 24.2 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 122.512 1.149 . . . . 0.0 112.73 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -42.46 78.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 111.576 -2.556 . . . . 0.0 110.526 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -145.25 136.7 25.17 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.008 -1.905 . . . . 0.0 108.658 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.31 113.63 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.886 1.366 . . . . 0.0 109.812 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.56 133.57 23.49 Favored Pre-proline 0 N--CA 1.481 1.118 0 O-C-N 124.546 1.154 . . . . 0.0 112.382 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.76 177.63 2.2 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 121.471 1.447 . . . . 0.0 114.905 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.55 121.06 9.26 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.108 1.872 . . . . 0.0 113.915 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.11 4.81 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.449 -1.705 . . . . 0.0 112.575 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -102.13 137.1 40.85 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.91 -1.645 . . . . 0.0 108.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 p -63.19 134.88 95.98 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-N 113.734 -1.575 . . . . 0.0 109.485 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.27 9.9 Cg_endo -69.92 -9.16 25.38 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 121.33 1.353 . . . . 0.0 115.369 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.77 -29.65 70.84 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.314 164.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -31.64 72.94 Favored 'General case' 0 CA--C 1.501 -0.935 0 O-C-N 123.96 0.788 . . . . 0.0 112.255 169.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.2 m -79.35 -30.93 42.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 126.242 2.214 . . . . 0.0 108.792 -173.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.42 -38.55 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 O-C-N 125.877 1.986 . . . . 0.0 110.109 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.85 66.61 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.462 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 68.9 m-20 -65.14 -55.36 19.16 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 115.931 -2.308 . . . . 0.0 113.205 172.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -73.61 -28.95 62.08 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 112.204 -170.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -68.36 -57.23 6.22 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.993 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -66.07 -37.18 85.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.131 -1.395 . . . . 0.0 114.017 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.92 -39.07 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 114.425 -1.261 . . . . 0.0 112.442 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.3 mt -86.62 5.73 34.4 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.153 0.908 . . . . 0.0 112.356 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.65 61.39 2.94 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 122.113 0.84 . . . . 0.0 111.299 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -151.79 160.95 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 112.097 -2.051 . . . . 0.0 106.9 -173.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 CA--C 1.541 0.616 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.077 176.393 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 122.152 0.977 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.56 173.28 12.53 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.582 -2.099 . . . . 0.0 109.766 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -105.55 165.15 11.35 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 112.888 -1.96 . . . . 0.0 111.407 -173.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.41 110.62 21.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 109.413 -3.54 . . . . 0.0 109.002 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.422 ' CG2' HG23 ' A' ' 7' ' ' VAL . 47.2 m -82.14 115.95 21.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.678 -2.055 . . . . 0.0 107.805 170.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -105.78 137.32 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 104.416 -2.439 . . . . 0.0 104.416 161.644 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 35' ' ' VAL 0.29 1.3 t -130.13 116.76 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.941 1 CA-C-N 108.112 -4.131 . . . . 0.0 102.98 -168.023 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.7 pp -130.98 129.38 42.02 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 117.19 -1.804 . . . . 0.0 109.313 -175.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.65 145.52 16.05 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 126.574 2.421 . . . . 0.0 108.466 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.69 125.41 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -96.5 117.88 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 112.652 -2.067 . . . . 0.0 106.213 178.049 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.21 108.5 0.36 Allowed Glycine 0 C--N 1.347 1.166 0 CA-C-N 110.027 -3.261 . . . . 0.0 109.561 -173.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -84.18 74.35 10.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 111.807 -2.196 . . . . 0.0 108.827 -175.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.84 40.55 28.9 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 111.988 -2.369 . . . . 0.0 111.301 -168.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.0 m -101.8 -23.49 14.19 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.178 -1.828 . . . . 0.0 111.792 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 71.23 130.97 0.03 OUTLIER 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.801 1.313 . . . . 0.0 111.228 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.7 90.81 1.08 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.733 -2.03 . . . . 0.0 111.876 -176.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -104.23 122.77 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 111.89 -2.414 . . . . 0.0 107.542 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.85 -100.81 1.08 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.084 -173.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -70.53 101.9 2.11 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 113.62 -1.29 . . . . 0.0 109.894 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -168.63 -55.89 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 CA-C-N 112.311 -2.222 . . . . 0.0 106.873 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.9 mm -107.55 46.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 111.977 -2.374 . . . . 0.0 108.052 175.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -130.48 -6.49 4.19 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.366 -2.197 . . . . 0.0 110.805 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.48 60.34 3.07 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.246 1.498 . . . . 0.0 108.873 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -147.63 -46.85 0.17 Allowed 'General case' 0 C--N 1.345 0.376 0 CA-C-N 110.218 -3.174 . . . . 0.0 106.413 -174.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -87.04 62.72 7.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.579 167.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -175.97 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.439 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -44.93 94.09 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 112.576 -2.102 . . . . 0.0 110.32 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -89.37 25.12 2.01 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 112.467 -2.152 . . . . 0.0 111.33 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 7.72 45.8 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.289 167.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.04 25.36 64.39 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-N 113.837 -1.529 . . . . 0.0 111.609 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.01 149.76 27.21 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -77.93 104.63 8.6 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 163.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -121.58 134.49 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 112.606 -2.088 . . . . 0.0 107.187 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -130.81 135.69 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 111.151 -2.749 . . . . 0.0 106.304 -171.077 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -104.12 106.34 16.81 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.072 -1.876 . . . . 0.0 106.783 171.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.74 -23.73 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.953 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.06 179.35 21.98 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.336 173.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -92.5 117.93 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 111.612 -2.294 . . . . 0.0 108.482 -174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.39 139.52 3.96 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 112.934 -1.939 . . . . 0.0 106.587 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.31 73.52 5.93 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.186 171.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -170.38 121.74 0.63 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 118.053 -1.459 . . . . 0.0 114.182 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -47.89 -55.14 10.53 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 114.909 164.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -64.71 -18.16 64.76 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.763 -172.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.42 -37.63 36.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.799 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.29 -37.72 57.12 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.328 1.537 . . . . 0.0 112.218 -177.005 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.67 -37.05 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.497 -3.501 . . . . 0.0 111.955 160.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -66.7 -28.81 68.74 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.344 1.028 . . . . 0.0 112.223 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.08 -28.26 61.3 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 167.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -30.32 69.94 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 116.695 -2.002 . . . . 0.0 113.744 161.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -68.42 -42.6 84.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.04 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 -50.24 13.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 124.322 1.014 . . . . 0.0 109.986 -171.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -13.4 18.6 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 126.299 2.249 . . . . 0.0 114.045 -167.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 75.95 72.63 0.08 Allowed 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.955 1.409 . . . . 0.0 110.186 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 144.48 55.11 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 110.973 -2.83 . . . . 0.0 112.297 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.3 -33.0 16.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.264 152.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 134' ' ' LEU 0.3 2.7 pt? -140.53 144.95 36.23 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.037 1.398 . . . . 0.0 113.739 -179.45 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' HB ' HD22 ' A' ' 88' ' ' LEU . 49.0 mt -122.9 110.93 27.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.926 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.1 t -115.31 114.71 25.53 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.284 -173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 46' ' ' PHE . 4.5 m -97.86 148.26 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.599 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.31 112.85 24.39 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.561 -2.108 . . . . 0.0 108.348 176.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 m -100.88 119.13 38.23 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.521 -175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.7 mt -84.52 -43.24 14.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 112.004 -2.362 . . . . 0.0 108.564 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . 0.259 6.0 t80 116.25 49.84 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.251 165.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.62 -39.23 6.32 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 111.761 -2.472 . . . . 0.0 108.663 156.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -149.6 70.64 1.07 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 112.387 -1.906 . . . . 0.0 108.011 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.35 -45.24 8.19 Favored Glycine 0 C--N 1.355 1.637 0 C-N-CA 116.532 -2.746 . . . . 0.0 111.181 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -79.79 -29.57 40.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 111.083 -2.558 . . . . 0.0 111.414 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.08 -40.46 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 113.438 -1.71 . . . . 0.0 109.807 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.57 ' HB2' HD13 ' A' ' 11' ' ' ILE . 11.3 t70 -60.6 -52.33 65.63 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.34 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 108' ' ' PHE . 26.0 p -71.33 -35.49 71.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.855 -170.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -69.26 111.92 5.5 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.085 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.55 14.5 75.88 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 112.544 -2.116 . . . . 0.0 113.424 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -75.78 -30.0 58.95 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 159.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 117.659 -1.616 . . . . 0.0 109.52 172.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.366 32.2 tt0 -77.69 -26.67 50.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 118.461 2.763 . . . . 0.0 118.461 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 60.8 mtpt -76.58 -29.57 56.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.981 1.426 . . . . 0.0 112.818 165.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.1 t -77.61 -29.18 51.76 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 125.253 1.596 . . . . 0.0 112.23 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.32 -45.29 63.35 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.688 -2.96 . . . . 0.0 109.215 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.308 24.8 mm-40 -73.11 -29.65 63.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 109.297 -3.592 . . . . 0.0 112.39 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 0.82 12.01 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.801 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.2 33.51 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.3 mt -138.56 32.14 2.29 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 112.038 -2.081 . . . . 0.0 109.631 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 113.06 11.59 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.598 174.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.94 -29.52 0.6 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.783 -2.462 . . . . 0.0 107.979 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.89 127.15 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 111.7 -2.25 . . . . 0.0 110.172 167.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.97 137.39 32.37 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 110.121 -3.218 . . . . 0.0 108.495 160.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD22 ' HB ' ' A' ' 58' ' ' ILE . 17.8 mt -109.94 136.67 48.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.063 1.411 . . . . 0.0 111.087 -176.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.75 148.32 29.62 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 110.754 -2.93 . . . . 0.0 107.839 167.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -136.08 127.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 112.81 -1.995 . . . . 0.0 107.852 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.01 144.1 13.78 Favored Glycine 0 C--N 1.353 1.486 0 C-N-CA 119.359 -1.401 . . . . 0.0 112.562 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.59 -142.52 17.3 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 112.201 -1.999 . . . . 0.0 110.728 172.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.75 81.3 5.8 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.832 -1.684 . . . . 0.0 107.571 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.03 -24.59 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-N 112.747 -2.024 . . . . 0.0 110.732 -166.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 96' ' ' VAL . 93.1 t -139.7 173.81 10.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 167.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.476 ' N ' HG12 ' A' ' 95' ' ' VAL . 3.4 t -54.91 152.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 112.013 -2.358 . . . . 0.0 108.913 171.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.51 -42.76 58.07 Favored Glycine 0 CA--C 1.543 1.83 0 CA-C-N 112.641 -2.072 . . . . 0.0 111.791 169.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.81 136.53 58.02 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.72 -1.74 . . . . 0.0 109.145 165.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 68.55 73.79 0.28 Allowed 'General case' 0 C--N 1.352 0.694 0 O-C-N 125.039 1.462 . . . . 0.0 107.692 -159.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.13 67.66 6.97 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 112.274 -2.239 . . . . 0.0 108.989 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.482 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.347 1.7 m-90 78.37 10.77 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 119.68 3.215 . . . . 0.0 119.68 172.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.08 -51.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.104 0 CA-C-N 122.123 1.794 . . . . 0.0 111.273 164.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.32 -29.98 38.1 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.07 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.91 -46.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 124.575 1.172 . . . . 0.0 110.514 -170.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -68.63 -40.67 80.19 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.117 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -59.77 -46.2 89.92 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.597 1.185 . . . . 0.0 111.598 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -76.95 -53.02 8.38 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.634 -1.621 . . . . 0.0 110.576 -170.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 12.6 m-30 -70.4 -41.4 73.05 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.448 -1.705 . . . . 0.0 111.562 -168.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -77.19 -38.29 51.82 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.665 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.19 69.76 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.365 1.041 . . . . 0.0 112.115 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.2 mmm -71.0 -54.57 10.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.607 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.15 17.95 0.02 OUTLIER Glycine 0 C--N 1.356 1.644 0 C-N-CA 117.559 -2.258 . . . . 0.0 115.166 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 145.55 30.95 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 122.801 1.286 . . . . 0.0 108.867 169.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -78.29 -57.6 3.7 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 111.583 -2.553 . . . . 0.0 109.446 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.26 152.89 40.66 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 125.092 1.495 . . . . 0.0 110.743 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.482 HG12 ' HE1' ' A' ' 101' ' ' TRP . 38.8 t -123.29 120.2 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 111.974 -2.375 . . . . 0.0 110.398 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -95.6 116.96 66.68 Favored Pre-proline 0 C--N 1.358 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 110.547 170.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -57.29 169.46 2.15 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 120.92 1.08 . . . . 0.0 114.865 167.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -74.37 118.2 5.27 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 120.889 1.059 . . . . 0.0 110.551 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.98 11.51 10.95 Favored Glycine 0 CA--C 1.536 1.362 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.7 m -81.86 137.11 35.3 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 122.42 1.105 . . . . 0.0 109.432 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 p -59.93 164.99 5.15 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 111.598 -2.546 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.13 -10.91 10.03 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 121.317 1.344 . . . . 0.0 113.279 170.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.13 -29.84 60.64 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.268 0.98 . . . . 0.0 110.953 -174.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.56 -35.91 78.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.645 173.374 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 m -79.45 -31.34 42.49 Favored 'General case' 0 N--CA 1.44 -0.969 0 O-C-N 126.708 2.505 . . . . 0.0 109.004 -171.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.91 -41.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 126.549 2.405 . . . . 0.0 110.318 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.512 -1.676 . . . . 0.0 110.314 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 125' ' ' THR . 66.2 t0 -65.93 -49.06 69.31 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 112.232 -2.258 . . . . 0.0 112.677 171.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.6 ptp -69.19 -28.96 66.86 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 118.993 -1.083 . . . . 0.0 111.808 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.94 -57.24 5.26 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 118.295 -1.362 . . . . 0.0 110.08 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.3 -51.36 59.03 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.004 1.44 . . . . 0.0 113.213 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.78 -47.24 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 110.618 -2.992 . . . . 0.0 112.39 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD22 ' A' ' 57' ' ' LEU . 36.3 mt -93.8 13.11 23.47 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.195 0.934 . . . . 0.0 112.19 -170.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 57.17 4.45 Favored Glycine 0 C--N 1.354 1.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.131 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.49 2.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 112.591 -1.805 . . . . 0.0 113.311 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.549 0.908 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.589 -179.375 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 122.039 0.924 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -178.49 5.04 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.446 -2.161 . . . . 0.0 110.52 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -105.58 165.01 11.46 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.351 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.71 109.91 21.8 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 109.445 -3.525 . . . . 0.0 107.582 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 55' ' ' ALA . 23.5 m -94.85 119.05 32.78 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 110.907 -2.861 . . . . 0.0 106.943 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -113.34 144.9 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 C-N-CA 129.117 2.967 . . . . 0.0 104.623 169.102 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.267 2.0 t -130.05 130.88 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 108.871 -3.786 . . . . 0.0 104.54 -171.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -132.39 129.4 39.31 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.418 -1.313 . . . . 0.0 109.174 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.09 145.19 15.82 Favored Glycine 0 C--N 1.358 1.802 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.461 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.57 120.93 50.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -96.45 117.73 41.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.089 -157.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.82 41.65 83.96 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-N 111.842 -2.435 . . . . 0.0 112.393 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -93.67 -71.15 0.67 Allowed 'General case' 0 C--N 1.351 0.637 0 CA-C-N 112.561 -1.82 . . . . 0.0 111.222 -166.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.25 -161.32 0.14 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 112.127 -2.306 . . . . 0.0 107.5 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.43 -34.43 23.48 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.673 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -78.88 145.85 33.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.514 -1.676 . . . . 0.0 109.381 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.87 54.17 2.76 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.979 -1.918 . . . . 0.0 111.081 -173.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.85 128.37 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.131 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.44 32.48 27.9 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 112.83 -1.987 . . . . 0.0 111.907 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -169.95 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.98 1.047 . . . . 0.0 111.504 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -66.88 133.4 49.96 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.625 -171.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.292 0.6 OUTLIER 89.75 -35.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.843 -2.435 . . . . 0.0 110.098 -174.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -9.97 59.04 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.514 -158.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' CB ' HD21 ' A' ' 36' ' ' ASN . 38.2 t70 -88.63 73.39 8.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 123.101 1.429 . . . . 0.0 108.719 172.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.7 20.06 0.46 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 110.934 -2.848 . . . . 0.0 109.165 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.2 p -137.1 -50.22 0.64 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.895 -168.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -68.78 -47.76 65.39 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.302 -2.226 . . . . 0.0 108.79 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -43.64 98.46 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.005 -1.907 . . . . 0.0 110.126 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 24.37 0.92 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.123 -2.308 . . . . 0.0 112.271 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 5.16 28.93 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.571 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.72 26.78 70.58 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.538 -173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.5 m-85 -98.46 153.34 18.67 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.0 104.82 8.81 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 32' ' ' PHE . 45.6 t -123.14 123.21 67.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.094 -1.866 . . . . 0.0 108.203 -175.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.93 114.77 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 111.027 -2.806 . . . . 0.0 107.226 -173.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.428 HD21 ' CB ' ' A' ' 24' ' ' ASP . 34.8 m-20 -85.8 105.04 16.03 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 112.824 -1.989 . . . . 0.0 107.327 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.86 -35.33 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 CA-C-N 112.881 -1.963 . . . . 0.0 108.067 168.217 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.67 -150.04 44.21 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 111.921 -2.4 . . . . 0.0 111.942 163.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.21 170.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 110.94 -2.63 . . . . 0.0 109.633 -169.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt 74.11 40.19 0.46 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.998 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.89 166.59 1.23 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.322 -169.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -144.2 -167.81 2.71 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.437 -2.165 . . . . 0.0 108.368 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.06 65.71 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -165.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.31 -35.11 80.0 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 125.282 1.614 . . . . 0.0 111.465 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.0 -16.82 29.04 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.749 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 4.4 m-30 -76.63 -37.17 56.79 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.671 1.701 . . . . 0.0 111.927 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.84 -41.56 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 109.382 -3.554 . . . . 0.0 111.275 158.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -67.53 -28.76 68.08 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.246 0.966 . . . . 0.0 112.58 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.87 63.15 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.87 0.732 . . . . 0.0 110.496 168.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -70.28 -30.44 67.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 115.745 -2.382 . . . . 0.0 113.369 167.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.43 -37.63 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.09 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -76.94 -50.45 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.2 -1.364 . . . . 0.0 112.176 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 5' ' ' THR . 19.6 p -98.89 -27.6 13.83 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 125.604 1.815 . . . . 0.0 114.53 -172.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 90.76 63.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 125.735 1.897 . . . . 0.0 109.82 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -89.05 122.39 32.34 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 110.969 -2.832 . . . . 0.0 110.68 -172.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.1 -14.85 40.22 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 126.181 2.176 . . . . 0.0 109.417 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD22 HD11 ' A' ' 134' ' ' LEU . 2.6 pt? -135.47 144.39 46.38 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 124.397 2.046 . . . . 0.0 111.636 163.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.566 ' HB ' HD22 ' A' ' 88' ' ' LEU . 24.1 mt -131.71 125.62 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 108.664 -3.88 . . . . 0.0 107.853 -176.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -115.02 141.2 48.32 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 111.146 -2.752 . . . . 0.0 109.545 -176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.48 140.36 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 111.952 -2.385 . . . . 0.0 106.743 163.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.43 112.87 22.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 170.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -133.48 164.12 27.85 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 123.554 1.645 . . . . 0.0 111.86 -158.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.17 -28.05 6.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 109.419 -3.537 . . . . 0.0 111.854 -166.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.5 t80 78.95 38.88 0.13 Allowed 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.334 1.646 . . . . 0.0 109.643 -160.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.47 -49.97 40.99 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 110.683 -2.962 . . . . 0.0 107.841 151.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -159.0 69.57 0.47 Allowed 'General case' 0 C--N 1.359 1.014 0 CA-C-N 112.962 -1.619 . . . . 0.0 107.62 174.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.13 -45.57 8.14 Favored Glycine 0 C--N 1.354 1.543 0 C-N-CA 116.921 -2.561 . . . . 0.0 111.355 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.12 -27.83 39.08 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.11 -1.045 . . . . 0.0 111.869 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.8 mm -83.92 -44.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.895 -1.502 . . . . 0.0 111.248 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -77.23 -39.61 47.87 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.434 1.084 . . . . 0.0 111.767 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 23.0 p -59.68 -25.77 65.02 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.677 1.235 . . . . 0.0 113.95 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.35 111.74 2.13 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.363 -168.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.79 46.4 17.98 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 112.612 -2.086 . . . . 0.0 111.64 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -75.84 -32.33 59.74 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.822 0.954 . . . . 0.0 112.935 169.153 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.81 -43.41 88.74 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.266 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.509 0.5 OUTLIER -77.32 -26.26 51.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 N-CA-C 118.548 2.796 . . . . 0.0 118.548 176.952 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.373 46.6 tttp -76.02 -28.89 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.787 1.93 . . . . 0.0 112.683 167.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HG ' HD23 ' A' ' 74' ' ' LEU . 98.7 m -69.96 -47.38 62.53 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 123.854 1.788 . . . . 0.0 110.136 170.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.4 -38.64 77.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 108.417 -3.992 . . . . 0.0 110.426 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.1 OUTLIER -73.25 -35.16 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 110.768 -2.924 . . . . 0.0 112.444 179.022 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.18 3.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 111.93 -2.396 . . . . 0.0 112.741 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.44 16.41 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.057 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.56 -167.32 1.73 Allowed 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.087 -2.057 . . . . 0.0 106.265 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' H ' HD12 ' A' ' 86' ' ' ILE 0.28 25.5 mmmt -69.69 -172.82 0.53 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 112.459 -2.155 . . . . 0.0 113.393 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.81 48.25 2.03 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 103.187 -3.965 . . . . 0.0 103.187 159.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.643 HG23 HD21 ' A' ' 88' ' ' LEU 0.252 0.2 OUTLIER -63.75 136.53 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.98 0 CA-C-N 108.687 -3.756 . . . . 0.0 107.134 -165.922 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 75.1 mmtt -87.72 123.97 33.1 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 109.387 -3.552 . . . . 0.0 109.333 -159.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 86' ' ' ILE . 28.0 mt -117.26 140.11 49.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.377 -159.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -107.77 141.35 39.46 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 110.014 -3.266 . . . . 0.0 107.143 173.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 123.88 34.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.547 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.09 21.1 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-N 113.747 -1.57 . . . . 0.0 112.29 -167.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.48 -149.45 19.25 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 111.634 -2.283 . . . . 0.0 110.411 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.02 115.95 22.07 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 112.514 -1.843 . . . . 0.0 107.487 172.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.6 pt -137.05 -22.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 CA-C-N 113.457 -1.701 . . . . 0.0 111.691 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.21 149.87 17.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 123.035 1.398 . . . . 0.0 108.261 167.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.9 t -156.43 103.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 CA-C-N 110.035 -3.257 . . . . 0.0 106.313 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.23 62.29 0.03 OUTLIER Glycine 0 C--N 1.349 1.257 0 C-N-CA 118.066 -2.016 . . . . 0.0 111.243 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 50.73 50.86 18.13 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.459 -1.371 . . . . 0.0 111.46 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -161.79 104.09 1.19 Allowed 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 111.802 -2.454 . . . . 0.0 107.334 -168.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -135.75 132.73 37.18 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 112.834 -1.985 . . . . 0.0 108.457 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.601 2.8 m-90 39.95 -78.99 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.685 0 C-N-CA 129.771 3.228 . . . . 0.0 118.515 171.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.99 -38.97 32.46 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 CA-C-N 120.663 1.273 . . . . 0.0 114.758 167.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.21 -44.54 19.57 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 112.926 -1.943 . . . . 0.0 111.983 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.01 -59.12 4.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 124.378 1.049 . . . . 0.0 110.138 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.6 -27.97 69.57 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 125.121 1.513 . . . . 0.0 113.093 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.49 -50.05 74.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.479 171.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -68.19 -45.79 72.43 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 112.997 -1.91 . . . . 0.0 111.864 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -75.15 -28.88 60.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.735 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -68.59 -32.34 72.17 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.762 172.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.94 64.53 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.212 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.9 mtt -70.77 -31.88 68.81 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.203 0.939 . . . . 0.0 110.777 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.88 23.77 6.04 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.457 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -81.17 115.83 20.78 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 163.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.274 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -145.06 135.55 24.27 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 109.583 -171.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.27 113.91 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.478 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -89.48 117.01 67.79 Favored Pre-proline 0 C--N 1.357 0.902 0 O-C-N 124.698 1.249 . . . . 0.0 109.768 170.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.88 171.82 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 120.698 0.932 . . . . 0.0 114.507 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -74.57 117.75 5.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 120.731 0.954 . . . . 0.0 110.43 175.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.63 3.09 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.926 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -98.11 137.17 37.28 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.764 -1.218 . . . . 0.0 108.462 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -60.1 161.13 13.6 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 112.363 -2.199 . . . . 0.0 109.84 171.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.06 -13.75 8.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 122.876 0.935 . . . . 0.0 113.981 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -29.83 69.03 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.213 0.946 . . . . 0.0 110.287 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -67.29 -37.72 83.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 113.168 -1.833 . . . . 0.0 112.038 175.357 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.6 m -79.54 -34.46 41.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.445 2.341 . . . . 0.0 109.495 -169.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -75.1 -41.62 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.368 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.9 63.89 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.859 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' THR . 63.0 t0 -62.19 -55.1 31.91 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 112.142 -2.299 . . . . 0.0 112.628 169.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -67.61 -28.75 68.01 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 119.42 -0.912 . . . . 0.0 112.646 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.42 -57.08 10.28 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.78 -49.61 75.68 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.645 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.76 -47.06 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.221 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 57' ' ' LEU . 35.3 mt -87.9 -1.29 57.89 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 124.583 1.177 . . . . 0.0 111.768 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.53 73.7 1.04 Allowed Glycine 0 C--N 1.354 1.544 0 O-C-N 124.271 0.982 . . . . 0.0 110.845 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.8 t -145.27 165.98 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 CA-C-N 112.423 -1.888 . . . . 0.0 106.919 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 113.517 -1.674 . . . . 0.0 110.269 179.564 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.505 0.669 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 68.15 106.21 0.05 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 112.79 -2.004 . . . . 0.0 110.934 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 165.91 10.86 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.043 -1.89 . . . . 0.0 110.097 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -117.15 114.51 23.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 110.034 -3.257 . . . . 0.0 109.045 -170.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -84.01 138.58 33.02 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 111.306 -2.679 . . . . 0.0 107.729 172.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -131.51 149.19 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.047 0 C-N-CA 128.092 2.557 . . . . 0.0 105.777 169.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 37' ' ' ILE 0.288 0.9 OUTLIER -124.49 133.67 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.126 1 CA-C-N 107.56 -4.382 . . . . 0.0 103.538 -172.938 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.42 129.08 38.84 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.933 163.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.91 146.29 16.26 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 111.244 -2.707 . . . . 0.0 108.444 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 17' ' ' ALA . 46.9 t -97.08 120.6 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 165.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 tt -99.22 133.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 O-C-N 125.925 2.016 . . . . 0.0 108.46 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.99 -114.61 0.9 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 112.571 -2.104 . . . . 0.0 111.529 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -154.96 -153.24 0.44 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 112.116 -2.042 . . . . 0.0 110.285 -154.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 66.7 170.13 0.24 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.436 168.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -74.46 -17.84 60.72 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.46 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.35 148.52 51.57 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.791 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . 75.41 102.48 0.07 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.631 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -133.85 108.78 12.16 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 CA-C-N 111.589 -2.55 . . . . 0.0 106.993 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.69 -57.53 2.24 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.622 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' H ' ' H ' ' A' ' 21' ' ' LYS . 9.4 p30 -174.38 -10.96 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.237 -1.482 . . . . 0.0 112.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' A' ' 20' ' ' ASN . 46.3 mtpt 96.32 -98.19 0.0 OUTLIER 'General case' 0 C--N 1.356 0.869 0 O-C-N 125.201 1.563 . . . . 0.0 107.854 -165.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.53 -28.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.093 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 23' ' ' LEU 0.282 0.0 OUTLIER -75.44 -3.87 36.32 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.632 -1.622 . . . . 0.0 114.427 -155.206 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.07 -48.76 80.22 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.18 0.925 . . . . 0.0 111.201 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -80.49 77.57 7.27 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 126.528 2.393 . . . . 0.0 112.218 -159.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t 178.44 -32.61 0.01 OUTLIER 'General case' 0 C--N 1.345 0.382 0 CA-C-N 110.987 -2.824 . . . . 0.0 108.191 163.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.8 -45.35 86.66 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.821 1.326 . . . . 0.0 109.07 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -44.89 96.31 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.213 -2.267 . . . . 0.0 109.576 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -89.87 37.86 0.9 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.119 -2.31 . . . . 0.0 111.53 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 20.07 3.3 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.014 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.42 29.64 75.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 113.346 -1.752 . . . . 0.0 112.679 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.28 152.22 20.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 t -125.81 134.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 O-C-N 125.27 1.606 . . . . 0.0 108.686 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.5 t -133.03 119.2 35.78 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 111.787 -2.461 . . . . 0.0 108.219 -162.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -85.94 109.98 19.13 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.686 1.241 . . . . 0.0 108.084 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.606 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -92.31 -42.02 13.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 112.823 -1.989 . . . . 0.0 111.524 -164.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.16 121.73 0.58 Allowed Glycine 0 C--N 1.35 1.35 0 C-N-CA 118.117 -1.992 . . . . 0.0 111.108 -171.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.75 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-N 112.095 -2.052 . . . . 0.0 108.291 167.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.3 -119.87 1.01 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 112.251 -2.249 . . . . 0.0 108.608 -162.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p 58.16 -158.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.177 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -162.25 -166.3 1.37 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.42 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -50.25 -35.85 28.72 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.864 1.977 . . . . 0.0 114.478 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.98 -21.73 66.89 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 117.978 -1.489 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -81.08 -42.28 21.25 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 124.743 1.277 . . . . 0.0 111.875 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -75.96 -31.05 58.86 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.0 0.905 . . . . 0.0 111.941 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.09 -32.92 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 111.465 -2.607 . . . . 0.0 110.512 168.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.04 -41.09 97.52 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.086 -1.445 . . . . 0.0 109.882 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.82 61.45 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 124.646 1.216 . . . . 0.0 111.336 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.35 56.28 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 116.489 -2.085 . . . . 0.0 112.889 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.83 -39.38 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.68 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.23 -50.46 14.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.434 -1.257 . . . . 0.0 113.147 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.6 p -97.65 -28.98 13.67 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 125.28 1.612 . . . . 0.0 113.926 -171.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 99.33 55.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 126.234 2.209 . . . . 0.0 110.792 168.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.78 16.64 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 111.723 -2.489 . . . . 0.0 111.505 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.42 -27.29 24.26 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.165 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.2 144.85 36.79 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.296 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 88' ' ' LEU . 92.8 mt -129.8 125.26 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 111.167 -2.742 . . . . 0.0 106.699 -175.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -114.97 114.77 25.87 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.82 -170.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -107.85 121.82 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 111.692 -2.504 . . . . 0.0 108.322 -177.065 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.83 121.65 45.17 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.572 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -100.77 121.03 40.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 113.474 -1.694 . . . . 0.0 108.535 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.44 -26.13 60.81 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.07 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 104.0 24.34 0.0 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 125.954 2.034 . . . . 0.0 111.097 171.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.06 -46.78 6.88 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.793 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -153.53 68.2 0.78 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 111.781 -2.21 . . . . 0.0 107.84 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.0 -45.22 8.45 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 118.373 -1.87 . . . . 0.0 111.495 -172.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.42 -32.63 54.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.486 -0.857 . . . . 0.0 111.907 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.37 -44.45 35.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.179 -165.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -77.47 -42.67 34.97 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.59 -1.641 . . . . 0.0 112.138 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 60' ' ' VAL . 26.3 t -78.04 -41.37 35.83 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.453 1.095 . . . . 0.0 112.944 -163.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -69.06 133.85 48.63 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.426 1.079 . . . . 0.0 111.371 -170.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.84 25.92 63.67 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 112.309 -2.223 . . . . 0.0 111.935 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 tp -75.64 -26.1 57.44 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.941 1.024 . . . . 0.0 112.115 158.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.573 ' H ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.04 -36.07 66.86 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 124.672 1.233 . . . . 0.0 108.64 173.241 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.292 25.7 mt-10 -77.6 -26.59 50.79 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.311 15.3 tptm -76.45 -29.4 56.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 125.606 1.816 . . . . 0.0 112.692 167.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.1 m -77.13 -40.38 45.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 125.45 1.719 . . . . 0.0 110.318 172.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.37 -42.34 95.61 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 110.902 -2.863 . . . . 0.0 109.898 173.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.302 25.0 mm-40 -73.23 -29.78 63.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 109.702 -3.408 . . . . 0.0 112.726 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 -2.02 21.99 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.258 -1.792 . . . . 0.0 113.199 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.93 42.09 17.14 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 mt -145.37 59.77 1.28 Allowed 'General case' 0 C--N 1.346 0.432 0 CA-C-N 111.336 -2.432 . . . . 0.0 107.574 -175.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.15 116.74 29.12 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.699 -2.046 . . . . 0.0 108.242 172.066 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.9 -24.2 2.27 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-N 112.32 -2.218 . . . . 0.0 108.037 -164.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.559 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.4 mp -64.82 124.64 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 111.702 -2.249 . . . . 0.0 108.115 166.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -109.12 132.62 53.94 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 110.774 -2.921 . . . . 0.0 107.484 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 58' ' ' ILE . 7.4 mt -109.79 133.8 52.74 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.141 1.448 . . . . 0.0 110.626 -170.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 20.3 m-30 -107.63 136.81 46.76 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.849 -3.342 . . . . 0.0 106.478 166.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.03 123.8 35.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.011 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.47 152.24 19.98 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.077 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.6 -140.68 16.4 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 112.824 -1.688 . . . . 0.0 110.897 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.65 82.29 2.0 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.005 -2.098 . . . . 0.0 107.963 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 94' ' ' ILE . 1.8 pt -97.08 -41.5 11.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.729 -162.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' VAL . 11.3 t -145.02 15.22 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-O 122.75 1.262 . . . . 0.0 111.907 162.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 96' ' ' VAL . 7.2 p -48.8 115.74 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 112.814 -1.994 . . . . 0.0 113.173 -170.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.99 -54.46 0.57 Allowed Glycine 0 C--N 1.347 1.181 0 CA-C-N 114.453 -1.248 . . . . 0.0 110.709 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 20.88 3.54 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.842 -1.179 . . . . 0.0 112.299 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 160.16 127.64 0.0 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 128.239 2.616 . . . . 0.0 104.938 -173.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -134.99 122.01 21.26 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.245 0.966 . . . . 0.0 110.387 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.593 1.8 m-90 38.3 -74.32 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.793 0 C-N-CA 130.601 3.56 . . . . 0.0 119.406 162.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.04 -38.46 31.9 Favored 'Trans proline' 0 CA--C 1.556 1.578 0 CA-C-N 120.93 1.368 . . . . 0.0 114.472 166.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -80.11 -49.52 11.61 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.886 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.2 -48.1 87.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 124.332 1.02 . . . . 0.0 111.047 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.01 -35.51 78.42 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.006 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.47 -39.86 89.14 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.714 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -72.69 -53.09 12.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.451 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.81 -51.27 42.65 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.769 -1.559 . . . . 0.0 110.32 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -66.11 -39.58 90.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.545 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.42 75.09 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.418 1.074 . . . . 0.0 111.987 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.5 mmt -79.35 -20.02 48.84 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.121 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.03 -35.02 0.24 Allowed Glycine 0 C--N 1.358 1.798 0 C-N-CA 117.163 -2.446 . . . . 0.0 114.834 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.483 ' HZ ' ' HG ' ' A' ' 71' ' ' CYS . 54.9 m-85 -60.0 144.14 50.03 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.288 1.042 . . . . 0.0 111.255 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.75 -56.23 5.25 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.617 -2.083 . . . . 0.0 109.454 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -145.2 150.96 37.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.441 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.26 132.7 70.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 113.294 -1.776 . . . . 0.0 108.89 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -92.92 116.75 66.99 Favored Pre-proline 0 C--N 1.356 0.881 0 O-C-N 124.618 1.199 . . . . 0.0 110.851 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.92 132.56 52.74 Favored 'Trans proline' 0 C--N 1.37 1.686 0 O-C-N 123.172 1.09 . . . . 0.0 112.098 159.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -65.08 111.38 1.74 Allowed 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 120.779 0.986 . . . . 0.0 110.971 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.22 -0.27 3.53 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 112.359 -2.201 . . . . 0.0 112.32 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 m -74.39 137.14 42.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 122.282 1.039 . . . . 0.0 109.788 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -57.26 165.94 1.79 Allowed Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 111.833 -2.439 . . . . 0.0 110.054 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 -14.86 8.25 Favored 'Trans proline' 0 C--N 1.354 0.82 0 O-C-N 122.642 0.812 . . . . 0.0 113.874 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.28 -29.66 65.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.47 1.106 . . . . 0.0 111.269 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -31.87 68.82 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.229 -1.805 . . . . 0.0 112.127 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -79.4 -32.67 43.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.948 2.03 . . . . 0.0 109.189 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.415 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.9 mt -75.1 -40.07 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.257 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.01 63.87 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.955 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 52.0 m-20 -63.41 -55.23 25.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 116.719 -1.992 . . . . 0.0 112.333 170.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.7 ptp -67.43 -29.01 68.38 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.872 0.733 . . . . 0.0 112.304 -171.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -71.87 -57.1 4.61 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.772 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -60.26 -30.94 69.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.15 -1.387 . . . . 0.0 113.993 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.94 -46.85 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.865 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 74.9 mt -95.88 21.63 8.35 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.494 1.121 . . . . 0.0 112.345 -170.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.68 59.84 4.6 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.082 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.72 155.12 8.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.479 -1.86 . . . . 0.0 107.177 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 113.344 -1.753 . . . . 0.0 109.177 -179.854 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 ttp . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.583 0.706 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -169.89 -47.6 0.02 OUTLIER 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.531 -172.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.74 165.16 11.37 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.372 -2.195 . . . . 0.0 111.143 -176.67 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -112.23 109.57 19.32 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 109.393 -3.548 . . . . 0.0 105.323 157.836 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 53' ' ' THR . 14.0 m -98.25 137.98 36.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.207 -2.27 . . . . 0.0 107.924 -178.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -118.02 122.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 111.903 -2.408 . . . . 0.0 105.308 171.69 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.299 0.9 OUTLIER -107.9 116.76 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 109.546 -3.479 . . . . 0.0 104.265 -167.177 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.55 128.7 46.07 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 117.173 -1.811 . . . . 0.0 110.723 179.573 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.697 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.32 145.87 16.02 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 110.526 -3.034 . . . . 0.0 110.14 173.492 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.45 120.26 46.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 116.522 -2.071 . . . . 0.0 106.687 163.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 5.7 tt -97.52 132.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 111.383 -2.644 . . . . 0.0 109.557 -167.261 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.31 43.59 97.18 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.387 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.9 p -58.77 -50.1 75.18 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 113.313 -1.443 . . . . 0.0 111.841 -166.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 54.05 31.49 13.8 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 111.692 -2.504 . . . . 0.0 111.922 174.047 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -173.98 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 112.788 -2.006 . . . . 0.0 110.338 -168.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 75.27 118.63 0.05 Allowed 'General case' 0 C--N 1.355 0.841 0 O-C-N 125.358 1.661 . . . . 0.0 112.017 171.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 66.76 16.55 10.41 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 111.666 -2.515 . . . . 0.0 112.793 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.13 -37.11 45.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.647 177.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.61 132.62 10.85 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 111.727 -2.488 . . . . 0.0 108.243 174.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 61.53 92.92 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 113.089 -1.556 . . . . 0.0 111.644 173.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -131.99 -49.67 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.821 -2.445 . . . . 0.0 107.147 172.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.32 -28.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-N 111.955 -2.384 . . . . 0.0 109.228 172.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.1 mt -80.4 9.78 5.45 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.041 -1.436 . . . . 0.0 112.769 -170.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.85 -46.18 9.14 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 162.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -74.79 141.03 44.39 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.658 -2.064 . . . . 0.0 110.518 -174.144 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 39.2 t 89.72 -21.08 0.13 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 111.431 -2.622 . . . . 0.0 111.352 -171.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -87.55 -47.05 9.03 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -44.63 96.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.873 171.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -95.38 50.8 1.26 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.647 178.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . -138.4 16.4 2.76 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.109 -1.859 . . . . 0.0 108.798 160.124 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.53 89.81 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 113.69 -1.596 . . . . 0.0 112.062 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 151.5 21.45 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 173.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -77.9 114.06 16.4 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 171.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 6' ' ' ILE . 58.2 t -127.08 108.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 O-C-N 124.888 1.368 . . . . 0.0 108.666 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.19 137.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 110.996 -2.82 . . . . 0.0 107.707 176.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.28 124.48 44.41 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 113.122 -1.853 . . . . 0.0 107.993 172.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 9' ' ' GLY . 60.9 mt -68.93 -42.12 82.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 112.742 -2.027 . . . . 0.0 109.827 177.219 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.81 -157.93 19.95 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.265 -175.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -109.15 156.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 111.868 -2.166 . . . . 0.0 108.946 -175.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' H ' ' A' ' 41' ' ' SER . 2.4 tp 65.52 -137.4 0.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.896 177.418 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.503 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 40.5 t 55.81 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.354 0.761 0 C-N-CA 125.36 1.464 . . . . 0.0 112.154 -175.341 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -119.67 -159.91 0.8 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 111.967 -2.379 . . . . 0.0 106.84 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -48.19 -28.53 3.05 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 112.651 -2.068 . . . . 0.0 113.709 174.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -60.74 -39.27 88.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.3 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.0 -21.34 24.88 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 118.019 -1.473 . . . . 0.0 111.252 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.23 -34.23 59.21 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 123.213 1.482 . . . . 0.0 112.703 -179.198 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.6 -49.27 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 109.823 -3.353 . . . . 0.0 110.146 156.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.07 -28.89 67.76 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.128 1.518 . . . . 0.0 113.381 -167.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 53' ' ' THR . . . -73.86 -28.54 61.63 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 117.409 -1.282 . . . . 0.0 111.291 169.664 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 58' ' ' ILE . . . -75.46 -30.38 59.94 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 118.738 -1.185 . . . . 0.0 113.376 172.027 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.2 -37.55 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.604 170.414 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.4 -50.73 29.04 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.474 -170.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 5' ' ' THR . 1.6 t -91.81 -41.11 10.84 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.014 -171.174 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mmpt? 85.77 79.81 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.296 -2.683 . . . . 0.0 109.68 -162.104 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.94 136.07 56.4 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 112.036 -2.347 . . . . 0.0 109.933 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -90.28 -32.24 16.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.433 1.083 . . . . 0.0 109.885 164.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 HG22 ' A' ' 6' ' ' ILE . 2.3 pt? -140.23 145.01 36.82 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.384 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 50' ' ' ALA . 30.5 mt -121.86 131.76 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 111.65 -2.523 . . . . 0.0 106.867 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -115.33 138.48 50.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 110.811 -2.904 . . . . 0.0 108.472 -173.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 136.11 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 111.411 -2.631 . . . . 0.0 108.11 -178.139 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.08 112.7 23.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 125.26 1.6 . . . . 0.0 108.452 178.497 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -104.03 163.78 12.15 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.603 -175.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.8 mt -129.5 -17.81 3.65 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.451 -178.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 t80 79.23 137.13 0.06 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.822 1.326 . . . . 0.0 109.415 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.92 -41.77 2.02 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 111.74 -2.482 . . . . 0.0 107.956 -165.012 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -146.32 23.92 1.29 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 112.953 -1.623 . . . . 0.0 109.149 174.556 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.57 -45.4 23.17 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 118.192 -1.956 . . . . 0.0 111.264 -173.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.47 -28.45 37.58 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.589 -1.305 . . . . 0.0 112.823 174.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.0 mt -68.37 -44.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.634 -172.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.38 -52.89 8.39 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.055 -1.884 . . . . 0.0 111.799 175.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 11' ' ' ILE . 91.2 m -62.9 -51.14 68.11 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.555 -169.097 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -69.83 113.45 7.08 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.093 1.496 . . . . 0.0 110.788 -170.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.02 16.23 21.85 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 112.618 -2.083 . . . . 0.0 112.348 -176.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.6 tp -75.59 -25.81 57.33 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.742 0.817 . . . . 0.0 111.667 156.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.429 HH21 ' HB3' ' A' ' 111' ' ' MET . 66.4 ttp85 -59.16 -54.5 46.2 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.234 170.252 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.436 24.5 tt0 -77.54 -25.95 50.57 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 118.198 2.666 . . . . 0.0 118.198 -179.112 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.35 27.2 tttp -76.13 -29.11 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 125.142 1.526 . . . . 0.0 112.012 167.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 86' ' ' ILE . 12.4 p -77.03 -41.45 42.56 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 117.662 -1.615 . . . . 0.0 110.146 174.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.74 -38.37 90.25 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 110.181 -3.19 . . . . 0.0 110.568 176.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.292 27.2 mm-40 -73.42 -30.76 63.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 110.949 -2.841 . . . . 0.0 112.826 175.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.34 0.05 15.6 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.429 -1.714 . . . . 0.0 113.058 178.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 44.04 9.04 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-O 122.269 0.927 . . . . 0.0 110.811 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 86' ' ' ILE . 39.0 mt -138.61 63.02 1.53 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 111.867 -2.166 . . . . 0.0 107.142 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -92.08 116.81 29.25 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 111.956 -2.384 . . . . 0.0 108.303 172.285 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.07 -24.15 2.08 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 112.366 -2.197 . . . . 0.0 108.378 -171.043 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -65.63 124.47 20.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.102 167.011 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -109.42 130.29 55.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 109.749 -3.387 . . . . 0.0 106.539 169.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -109.41 132.61 53.96 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 123.439 1.59 . . . . 0.0 111.478 -165.309 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -109.61 129.81 55.56 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 108.976 -3.738 . . . . 0.0 106.821 166.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.87 123.78 57.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 113.756 -1.566 . . . . 0.0 108.715 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.26 22.33 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.82 -166.815 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.35 -149.16 17.02 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 111.86 -2.17 . . . . 0.0 108.455 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -91.51 82.95 5.33 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.907 -1.647 . . . . 0.0 106.962 168.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.3 pt -79.57 -37.06 18.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.091 -169.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 95' ' ' VAL . 41.9 t -137.93 1.04 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 113.045 -1.889 . . . . 0.0 111.757 166.111 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.7 119.49 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 112.101 -2.318 . . . . 0.0 110.951 -162.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.55 -38.73 0.08 OUTLIER Glycine 0 C--N 1.347 1.189 0 CA-C-N 112.306 -2.224 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -163.58 35.78 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 112.926 -1.637 . . . . 0.0 109.435 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -145.26 166.57 25.12 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.885 -178.189 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -154.86 140.89 18.36 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.644 -1.616 . . . . 0.0 110.918 -174.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.448 ' H ' ' HE3' ' A' ' 101' ' ' TRP 0.423 1.4 m-90 -4.01 -57.66 0.0 OUTLIER Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 130.099 3.36 . . . . 0.0 120.032 170.906 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -47.9 -52.07 8.81 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 CA-C-N 121.123 1.437 . . . . 0.0 114.319 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -73.14 -47.62 42.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.923 179.466 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HA ' HH21 ' A' ' 107' ' ' ARG . 93.8 t -66.32 -51.6 56.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.168 -170.453 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.44 -40.28 64.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 113.419 -1.719 . . . . 0.0 110.677 -170.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.44 -29.96 71.16 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.934 1.397 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 HH21 ' HA ' ' A' ' 104' ' ' VAL . 14.4 ttp180 -69.56 -49.83 50.6 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.258 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.74 -33.44 73.91 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.884 -1.507 . . . . 0.0 112.142 -177.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -77.78 -28.94 50.62 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.865 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.03 -27.93 69.14 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.172 175.114 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.429 ' HB3' HH21 ' A' ' 75' ' ' ARG . 19.5 mmt -70.74 -64.16 0.95 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.775 166.671 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.52 2.38 0.1 OUTLIER Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.716 177.002 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -59.9 115.97 3.78 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.12 70.43 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.916 -161.1 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -136.66 147.97 47.14 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 123.227 1.489 . . . . 0.0 110.253 176.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.05 113.83 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 110.332 -3.122 . . . . 0.0 108.513 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.16 118.43 55.97 Favored Pre-proline 0 C--N 1.352 0.685 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.703 -170.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.87 167.56 2.23 Favored 'Trans proline' 0 C--N 1.369 1.637 0 N-CA-C 115.806 1.425 . . . . 0.0 115.806 169.172 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.02 -1.51 6.3 Favored 'Trans proline' 0 C--N 1.371 1.711 0 N-CA-C 118.293 2.382 . . . . 0.0 118.293 -172.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.62 69.54 0.3 Allowed Glycine 0 C--N 1.347 1.176 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -176.292 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.36 40.4 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 112.039 -2.081 . . . . 0.0 108.713 176.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 159.79 1.65 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 113.052 -1.885 . . . . 0.0 110.233 165.361 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.99 -18.39 6.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 123.01 1.005 . . . . 0.0 113.059 174.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -73.13 -29.73 63.1 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.177 -169.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -31.81 67.36 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.194 175.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.4 m -79.23 -37.06 38.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 126.176 2.172 . . . . 0.0 108.296 -172.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.1 -37.17 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 110.695 -2.957 . . . . 0.0 109.823 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.02 63.97 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.667 173.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -62.56 -55.33 28.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 115.871 -2.332 . . . . 0.0 112.25 170.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 18.4 ptp -67.37 -28.93 68.35 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.868 0.73 . . . . 0.0 111.779 -172.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -68.86 -54.81 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.2 176.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.98 -51.39 69.86 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.798 -1.092 . . . . 0.0 113.781 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.01 -46.99 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.705 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.44 -1.71 42.69 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.714 -175.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.84 63.31 1.91 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.841 167.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.7 p -161.1 149.97 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 111.674 -2.263 . . . . 0.0 109.753 -172.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.548 0.873 0 CA-C-N 109.216 -3.629 . . . . 0.0 110.983 -172.597 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.474 0.654 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.26 -30.88 58.01 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.466 -1.697 . . . . 0.0 109.736 170.195 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.32 165.27 25.53 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.8 169.292 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -102.16 109.83 21.64 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.517 -1.674 . . . . 0.0 107.302 162.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 55' ' ' ALA . 36.4 m -83.47 125.06 31.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.121 -1.854 . . . . 0.0 107.133 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.85 146.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 111.488 -2.596 . . . . 0.0 104.798 156.75 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG13 HG21 ' A' ' 37' ' ' ILE 0.269 1.2 t -130.16 125.75 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-N 109.043 -3.708 . . . . 0.0 103.42 -166.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.57 129.12 38.59 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 116.996 -1.882 . . . . 0.0 109.993 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.98 146.15 16.2 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 111.418 -2.628 . . . . 0.0 110.051 170.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -97.43 120.61 46.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.216 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.815 HD13 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -96.77 117.96 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 111.786 -2.461 . . . . 0.0 109.781 -168.735 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.29 -4.96 0.17 Allowed Glycine 0 CA--C 1.539 1.557 0 CA-C-N 111.2 -2.727 . . . . 0.0 113.687 171.458 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 m 57.66 106.9 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.792 0.837 . . . . 0.0 109.895 -166.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -162.46 156.88 21.64 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.297 -173.117 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.84 -32.02 45.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.02 -1.9 . . . . 0.0 110.446 176.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -81.63 131.9 35.28 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.111 176.431 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.82 54.6 0.93 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.608 -2.087 . . . . 0.0 109.11 176.178 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.97 111.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 113.263 -1.79 . . . . 0.0 109.797 177.598 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.51 34.71 6.21 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.633 -174.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 178.68 35.03 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 112.411 -1.895 . . . . 0.0 107.942 -170.522 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -175.23 -51.52 0.01 OUTLIER 'General case' 0 C--N 1.348 0.514 0 CA-C-N 112.516 -2.129 . . . . 0.0 107.032 -168.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -51.72 12.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 111.877 -2.419 . . . . 0.0 106.508 174.457 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -106.65 70.06 0.8 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 113.278 -1.783 . . . . 0.0 109.817 172.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -147.99 66.12 1.1 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 111.217 -2.72 . . . . 0.0 106.461 147.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -150.96 -40.59 0.12 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 111.379 -2.646 . . . . 0.0 108.447 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -67.21 -46.38 74.04 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.997 174.288 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -70.88 -42.76 69.59 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.675 -2.057 . . . . 0.0 110.476 -176.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -42.79 99.64 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.705 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -90.72 19.45 5.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 112.923 -1.944 . . . . 0.0 111.682 178.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.67 2.64 56.61 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.084 166.069 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 24.44 73.55 Favored Glycine 0 C--N 1.356 1.67 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.181 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.35 152.98 18.37 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 118.454 -1.298 . . . . 0.0 108.349 -177.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -77.96 104.93 8.83 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 165.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.97 108.86 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.564 -172.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.46 118.87 53.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.147 -176.3 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -85.85 108.88 18.34 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.889 -1.959 . . . . 0.0 108.179 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.519 HG21 HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -78.82 -25.71 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 112.394 -2.185 . . . . 0.0 110.77 -174.9 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 176.12 22.78 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.235 175.55 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -87.26 117.93 32.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 112.361 -1.92 . . . . 0.0 109.505 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -164.09 139.5 6.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.008 173.461 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -85.06 90.84 7.95 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.615 163.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.15 127.77 0.1 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.5 1.143 . . . . 0.0 112.439 173.441 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 5.6 mm100 -47.93 -55.23 10.41 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 112.184 -2.28 . . . . 0.0 112.506 169.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.8 -19.96 64.55 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.421 1.075 . . . . 0.0 113.334 -164.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -77.12 -44.9 28.73 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.33 1.019 . . . . 0.0 111.261 175.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CE2' HG13 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -76.24 -34.89 59.19 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 122.797 1.284 . . . . 0.0 113.436 -175.401 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.61 -45.27 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 110.329 -3.123 . . . . 0.0 110.619 161.096 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.04 -28.76 66.84 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.89 1.369 . . . . 0.0 112.08 -171.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -28.33 62.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.199 0.937 . . . . 0.0 112.413 171.133 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -74.01 -30.3 62.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 117.921 -1.512 . . . . 0.0 113.768 166.558 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.05 -43.04 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.657 173.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.15 -50.65 12.52 Favored 'General case' 0 CA--C 1.493 -1.224 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.315 -168.591 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.26 0.0 OUTLIER -105.17 -9.84 17.49 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 110.522 -3.035 . . . . 0.0 113.617 -165.525 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 73.63 59.83 0.09 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 124.98 1.425 . . . . 0.0 110.025 167.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' H ' ' HA ' ' A' ' 50' ' ' ALA . . . -83.87 122.58 28.9 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.037 -169.843 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.22 -28.27 63.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.892 173.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 134' ' ' LEU 0.261 2.7 pt? -140.38 144.92 36.48 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.91 1.814 . . . . 0.0 112.508 175.832 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.618 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.0 mt -126.15 128.28 71.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 109.33 -3.577 . . . . 0.0 108.531 -177.455 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 41.8 t -115.07 136.75 52.78 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 112.46 -2.155 . . . . 0.0 109.049 -175.202 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.12 121.72 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 111.649 -2.523 . . . . 0.0 106.15 179.208 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -114.83 112.68 23.15 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.775 1.297 . . . . 0.0 108.616 175.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 p -100.86 155.87 17.69 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.848 -178.127 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.34 16.98 0.41 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 110.731 -2.941 . . . . 0.0 110.176 -166.341 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.54 2.42 1.62 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.745 -169.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.11 17.11 80.03 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 114.996 -1.002 . . . . 0.0 114.557 168.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -137.92 33.66 2.4 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 123.034 1.397 . . . . 0.0 109.666 175.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -69.07 -38.87 84.38 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 112.121 -2.309 . . . . 0.0 110.134 -177.034 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -27.95 68.12 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.253 -1.474 . . . . 0.0 112.453 177.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -68.16 -44.66 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.285 -170.169 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 t70 -77.91 -56.12 4.75 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.027 170.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.815 ' SG ' HD13 ' A' ' 11' ' ' ILE . 64.5 m -64.48 -25.71 68.12 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 113.501 -1.681 . . . . 0.0 115.04 -164.185 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -57.0 111.44 1.04 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.192 0.932 . . . . 0.0 109.99 -177.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.67 40.84 36.78 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 118.581 -1.771 . . . . 0.0 110.784 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.43 -26.23 58.17 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 126.364 1.861 . . . . 0.0 110.316 161.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -73.08 -32.02 64.74 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 117.619 -1.632 . . . . 0.0 109.507 172.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.351 33.6 tt0 -77.59 -26.43 50.76 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 169.931 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 5.3 tmtt? -76.18 -29.21 57.6 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 125.748 1.905 . . . . 0.0 112.72 166.8 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.47 ' SG ' HD12 ' A' ' 58' ' ' ILE . 69.9 m -77.14 -40.94 43.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 125.667 1.854 . . . . 0.0 110.495 171.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.87 -43.42 85.99 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 110.676 -2.965 . . . . 0.0 109.658 172.288 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 26.2 mm-40 -73.17 -29.88 63.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 109.172 -3.649 . . . . 0.0 112.226 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -3.19 27.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.343 176.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.67 46.49 7.86 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-O 122.471 1.039 . . . . 0.0 110.754 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.406 ' HB3' HD12 ' A' ' 86' ' ' ILE . 83.6 mt -149.28 70.32 1.08 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 111.535 -2.332 . . . . 0.0 106.812 -175.579 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.65 127.03 55.99 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.24 -2.254 . . . . 0.0 110.449 -173.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.12 -28.0 5.46 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 107.104 -2.398 . . . . 0.0 107.104 -172.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.767 HG22 HD21 ' A' ' 88' ' ' LEU . 56.3 mt -64.93 124.74 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-N 110.136 -3.032 . . . . 0.0 109.322 165.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.586 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 mttt -108.52 130.8 55.27 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 110.93 -2.85 . . . . 0.0 109.166 -178.197 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 86' ' ' ILE . 4.7 mt -120.88 149.31 42.79 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.477 -172.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -114.77 131.46 56.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 109.48 -3.509 . . . . 0.0 109.807 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 5.6 p -125.86 123.84 65.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 114.092 -1.413 . . . . 0.0 109.053 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.91 152.19 20.66 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.814 -174.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.51 -122.37 7.17 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.887 -2.157 . . . . 0.0 112.076 164.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.41 71.93 3.77 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.374 1.083 . . . . 0.0 109.154 -175.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 95' ' ' VAL . 1.2 pt -86.25 -78.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 112.09 -2.323 . . . . 0.0 107.497 -172.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' H ' HG13 ' A' ' 94' ' ' ILE . 3.4 t -108.31 5.03 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 113.386 -1.733 . . . . 0.0 112.835 -177.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.4 t -53.86 104.25 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 112.33 -2.214 . . . . 0.0 110.98 -167.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 68.57 0.02 OUTLIER Glycine 0 C--N 1.351 1.373 0 CA-C-N 112.123 -2.308 . . . . 0.0 109.32 -174.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 42.35 15.25 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 112.648 -1.776 . . . . 0.0 111.503 178.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -151.46 116.69 5.3 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.162 -1.835 . . . . 0.0 108.032 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -134.08 160.65 37.12 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 112.914 -1.948 . . . . 0.0 108.691 -175.02 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.433 4.4 m-90 10.21 -67.61 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 130.115 3.366 . . . . 0.0 118.815 176.289 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.96 -50.0 12.7 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 N-CA-C 115.123 1.163 . . . . 0.0 115.123 173.665 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.8 -48.38 66.45 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.468 -1.697 . . . . 0.0 111.517 174.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.43 -59.08 4.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.166 -167.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.47 -27.97 69.35 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.75 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -58.52 -38.02 76.85 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 117.784 -1.567 . . . . 0.0 111.461 173.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -69.99 -53.35 18.07 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.372 -179.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -72.36 -54.98 7.86 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.721 -167.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -63.34 -28.67 70.16 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.6 177.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.85 76.06 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.59 -1.244 . . . . 0.0 112.643 175.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.6 mmt -65.43 -29.94 70.68 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 119.022 -1.071 . . . . 0.0 112.118 173.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.76 20.22 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.544 176.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.16 146.56 30.47 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.084 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.24 -72.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -158.174 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -144.26 149.18 35.9 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.118 0.886 . . . . 0.0 110.181 -162.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.23 137.57 55.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.072 -175.685 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.63 146.97 41.08 Favored Pre-proline 0 C--N 1.356 0.872 0 CA-C-N 112.05 -2.341 . . . . 0.0 111.828 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -68.69 178.17 4.16 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.697 1.598 . . . . 0.0 113.437 170.368 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.44 122.42 2.79 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 122.238 1.958 . . . . 0.0 109.641 161.718 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.5 56.53 2.0 Allowed Glycine 0 C--N 1.349 1.3 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.741 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.104 -2.048 . . . . 0.0 107.851 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.5 p -60.33 116.97 20.07 Favored Pre-proline 0 C--N 1.351 0.662 0 O-C-N 125.443 1.715 . . . . 0.0 107.602 163.285 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -64.95 -9.72 22.55 Favored 'Trans proline' 0 C--N 1.365 1.439 0 O-C-N 122.671 0.827 . . . . 0.0 114.129 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.02 -37.18 19.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 125.251 1.595 . . . . 0.0 112.459 169.239 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -32.66 52.66 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.997 -1.456 . . . . 0.0 112.708 -177.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.3 -34.21 42.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 126.001 2.063 . . . . 0.0 109.336 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.416 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 70.9 mt -75.24 -39.41 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 111.236 -2.711 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.99 63.61 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.286 -1.779 . . . . 0.0 111.378 174.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -64.11 -55.16 23.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 116.406 -2.118 . . . . 0.0 113.303 170.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 19.1 ptp -64.84 -28.97 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.096 0.872 . . . . 0.0 110.964 -174.209 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -67.62 -57.12 6.97 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.795 177.722 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -66.55 -57.17 7.83 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 117.506 -1.678 . . . . 0.0 114.213 -177.104 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -34.55 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 112.069 -2.332 . . . . 0.0 113.881 -170.269 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.453 HD11 HD22 ' A' ' 57' ' ' LEU . 36.1 mt -89.31 -18.61 26.61 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.131 0.894 . . . . 0.0 111.127 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.11 78.72 1.31 Allowed Glycine 0 C--N 1.353 1.498 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.068 178.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.69 162.57 5.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 112.33 -1.935 . . . . 0.0 107.017 -173.118 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.483 176.244 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.711 0.767 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.53 -53.21 9.0 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.672 178.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.07 165.42 25.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.912 177.055 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HG2' HD13 ' A' ' 134' ' ' LEU . 11.4 mptt -96.04 109.89 22.22 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 113.15 -1.841 . . . . 0.0 108.068 167.071 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.0 m -87.19 140.17 29.82 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.831 -1.986 . . . . 0.0 106.922 170.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 149.32 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.915 0 C-N-CA 129.952 3.301 . . . . 0.0 105.003 176.599 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.695 HG13 HD11 ' A' ' 37' ' ' ILE 0.281 2.4 t -123.88 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 1 CA-C-N 108.163 -4.108 . . . . 0.0 104.12 177.52 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.12 128.22 37.65 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 115.643 -2.423 . . . . 0.0 105.639 155.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HB ' ' A' ' 37' ' ' ILE . . . -124.32 145.27 15.79 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.637 -2.074 . . . . 0.0 108.259 -177.251 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.41 120.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 117.774 -1.571 . . . . 0.0 107.41 -177.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 tt -98.88 144.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 CA-C-N 110.696 -2.956 . . . . 0.0 110.666 -156.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 -66.67 0.23 Allowed Glycine 0 C--N 1.349 1.289 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.498 165.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 p -163.33 -173.08 3.21 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.284 -1.958 . . . . 0.0 109.222 -162.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t0 77.91 169.2 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.042 -1.89 . . . . 0.0 110.917 167.515 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.5 p -144.05 50.32 1.34 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.711 -1.586 . . . . 0.0 109.852 -177.264 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -117.05 -59.95 1.9 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.045 -1.889 . . . . 0.0 109.384 178.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 66.45 26.9 9.97 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 113.264 -1.789 . . . . 0.0 111.414 -172.179 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.03 120.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.169 -168.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.62 24.55 76.62 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 112.632 -2.076 . . . . 0.0 112.573 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -151.77 38.82 0.61 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.697 -1.251 . . . . 0.0 108.639 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -165.86 -45.73 0.03 OUTLIER 'General case' 0 C--N 1.346 0.415 0 CA-C-N 111.844 -2.435 . . . . 0.0 106.926 -169.144 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.441 HG23 ' H ' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -74.31 -33.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 CA-C-N 111.374 -2.648 . . . . 0.0 107.383 166.513 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.74 56.28 3.9 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 112.875 -1.966 . . . . 0.0 109.711 170.447 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.32 57.66 1.32 Allowed 'General case' 0 C--N 1.349 0.547 0 CA-C-N 112.997 -1.91 . . . . 0.0 106.184 164.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -139.8 -50.77 0.5 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 112.912 -1.949 . . . . 0.0 110.096 -168.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -84.61 -24.34 29.18 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 125.444 1.715 . . . . 0.0 111.096 -175.34 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.07 -43.15 58.81 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.959 -1.473 . . . . 0.0 108.81 176.27 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.65 97.72 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.68 -2.054 . . . . 0.0 109.868 175.142 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -89.27 38.3 0.89 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.884 176.481 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.77 22.59 3.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.231 165.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.62 33.81 88.23 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-N 112.788 -2.006 . . . . 0.0 112.844 177.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.08 148.98 28.11 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.207 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.82 104.79 10.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 168.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 59.6 t -122.54 131.51 73.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.188 -1.824 . . . . 0.0 107.878 -172.19 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.08 110.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.155 -2.293 . . . . 0.0 107.762 -168.426 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -86.65 111.48 20.7 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.304 -1.771 . . . . 0.0 108.685 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.695 HD11 HG13 ' A' ' 7' ' ' VAL . 2.9 mm -77.86 -39.96 26.6 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.252 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.88 175.78 51.15 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.458 -174.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.99 162.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.628 -1.786 . . . . 0.0 110.716 -175.201 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt 71.27 77.94 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.157 -2.292 . . . . 0.0 109.37 173.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 p 152.23 152.04 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 109.758 -3.383 . . . . 0.0 104.471 -161.107 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -150.28 -150.87 0.37 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.073 -1.421 . . . . 0.0 108.334 -169.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -47.96 -48.76 32.07 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 125.226 1.41 . . . . 0.0 113.914 -169.608 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.74 -27.58 68.41 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 124.914 1.384 . . . . 0.0 112.176 -173.567 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.776 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.58 -34.39 58.44 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.953 1.359 . . . . 0.0 113.162 -177.092 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.87 -46.33 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 110.099 -3.228 . . . . 0.0 111.792 156.661 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.94 -28.78 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.784 1.303 . . . . 0.0 111.362 -172.263 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.88 61.82 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.358 169.771 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.76 -30.2 65.32 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.673 -2.011 . . . . 0.0 113.413 168.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.51 -42.11 83.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.035 172.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.05 -50.39 13.19 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.917 -168.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.7 p -95.31 -28.76 14.83 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 125.59 1.807 . . . . 0.0 112.775 -171.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.261 56.4 mttp 92.58 57.46 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 112.13 -2.304 . . . . 0.0 109.976 169.007 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -76.12 123.62 26.12 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 109.738 -3.392 . . . . 0.0 111.214 -172.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.62 -17.65 50.63 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 125.663 1.852 . . . . 0.0 110.111 170.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 134' ' ' LEU . 2.7 pt? -140.46 144.74 36.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.144 1.45 . . . . 0.0 111.623 173.181 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.513 ' HB ' HD22 ' A' ' 88' ' ' LEU . 18.9 mt -126.74 122.11 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 110.745 -2.934 . . . . 0.0 107.317 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.1 t -109.18 141.29 41.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.915 -2.402 . . . . 0.0 108.377 178.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -117.41 121.88 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 110.925 -2.852 . . . . 0.0 105.352 173.435 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.24 128.72 44.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 112.083 -2.326 . . . . 0.0 106.363 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -124.17 138.37 54.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 113.1 -1.864 . . . . 0.0 108.966 -162.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 77.2 mt -124.18 -27.47 3.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 111.849 -2.432 . . . . 0.0 110.616 -168.234 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -142.11 176.98 8.54 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -164.685 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.11 43.39 3.25 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 113.488 -1.687 . . . . 0.0 111.643 175.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -146.53 -1.41 0.71 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.665 176.601 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.43 -45.49 29.66 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 117.382 -2.342 . . . . 0.0 110.728 -173.139 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -80.7 -27.73 36.91 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 111.035 -2.583 . . . . 0.0 114.645 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.75 -35.16 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 O-C-N 124.952 1.407 . . . . 0.0 110.005 172.153 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -77.03 -29.94 55.5 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.281 -1.782 . . . . 0.0 111.118 175.301 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 60' ' ' VAL . 35.8 t -70.58 -25.63 63.15 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.567 1.167 . . . . 0.0 114.041 -174.117 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -50.01 117.62 2.43 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.248 0.967 . . . . 0.0 112.315 -170.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.55 32.77 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 113.003 -1.908 . . . . 0.0 112.209 -176.396 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 -25.8 56.95 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.807 0.945 . . . . 0.0 110.113 152.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.02 88.52 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 117.896 -1.521 . . . . 0.0 108.846 172.153 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 28.3 tt0 -77.72 -26.31 49.97 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 176.254 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.353 30.4 mmtp -76.61 -29.49 56.54 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 125.176 1.547 . . . . 0.0 113.402 166.511 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.4 t -77.38 -32.34 54.85 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 125.069 1.481 . . . . 0.0 111.877 174.561 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.98 -34.14 51.03 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 110.852 -2.885 . . . . 0.0 111.06 173.796 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 31.7 mt-10 -73.29 -29.79 62.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 111.681 -2.509 . . . . 0.0 112.744 174.922 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.84 1.54 10.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.442 -1.708 . . . . 0.0 112.478 -177.111 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.95 38.29 36.2 Favored Glycine 0 C--N 1.354 1.529 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.49 34.55 1.65 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 111.596 -2.302 . . . . 0.0 109.091 -169.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 121.63 24.34 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.108 177.681 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.47 -28.53 1.49 Allowed Glycine 0 C--N 1.351 1.375 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -170.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.0 125.8 22.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 111.796 -2.202 . . . . 0.0 110.984 170.688 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.91 138.6 31.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 109.773 -3.376 . . . . 0.0 108.277 164.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -114.04 137.15 52.1 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 123.462 1.601 . . . . 0.0 112.015 -174.528 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -107.9 146.8 31.86 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 110.442 -3.072 . . . . 0.0 108.419 173.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.28 123.77 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 111.497 -2.592 . . . . 0.0 106.218 175.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.77 149.43 20.61 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 125.022 1.451 . . . . 0.0 112.914 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.7 -143.8 15.8 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-N 111.913 -2.143 . . . . 0.0 111.613 166.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -81.03 81.24 7.33 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 112.697 -1.751 . . . . 0.0 108.086 173.454 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.9 pt -78.13 -50.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 110.953 -2.84 . . . . 0.0 110.359 -170.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.06 20.52 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 CA-C-N 111.281 -2.69 . . . . 0.0 109.162 173.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 p 52.44 67.55 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 110.995 -2.821 . . . . 0.0 113.175 172.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.24 97.7 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.075 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.4 169.03 24.69 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.05 -1.575 . . . . 0.0 108.802 -178.357 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 57.55 115.52 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 111.872 -2.422 . . . . 0.0 109.75 -160.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -88.84 115.13 26.16 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.749 -1.569 . . . . 0.0 110.144 -171.562 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.415 ' HE3' ' H ' ' A' ' 101' ' ' TRP 0.463 1.3 m-90 11.23 -69.51 0.0 OUTLIER Pre-proline 0 C--N 1.353 0.746 0 N-CA-C 120.247 3.425 . . . . 0.0 120.247 172.193 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.89 -28.27 30.74 Favored 'Trans proline' 0 C--N 1.363 1.31 0 N-CA-C 116.097 1.537 . . . . 0.0 116.097 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.06 -42.52 23.55 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.55 175.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.71 -54.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.947 -174.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.61 -27.96 61.56 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.842 -1.526 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -60.56 -39.85 89.48 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.61 -1.236 . . . . 0.0 111.816 169.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -73.31 -53.15 11.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.561 -173.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -74.3 -43.77 55.42 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.137 -169.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.42 -28.71 66.37 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.918 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.73 71.57 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.192 0.933 . . . . 0.0 112.005 174.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.32 -62.48 1.51 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.13 167.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 148.39 37.93 0.04 OUTLIER Glycine 0 C--N 1.351 1.361 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.8 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -81.18 146.08 30.68 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.838 -1.181 . . . . 0.0 108.418 169.02 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.51 -72.71 0.18 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.129 -1.85 . . . . 0.0 110.812 -178.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -145.1 156.2 43.76 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 124.293 0.996 . . . . 0.0 111.305 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.67 115.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.082 -177.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -86.48 139.0 33.68 Favored Pre-proline 0 C--N 1.357 0.928 0 O-C-N 124.559 1.162 . . . . 0.0 110.801 167.613 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -61.89 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.062 1.841 . . . . 0.0 114.729 173.063 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.25 121.78 4.95 Favored 'Trans proline' 0 C--N 1.362 1.251 0 C-N-CA 121.445 1.43 . . . . 0.0 110.744 166.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.91 53.35 2.56 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 113.021 -1.899 . . . . 0.0 111.307 178.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.03 137.46 40.28 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 112.634 -1.783 . . . . 0.0 109.217 178.785 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.98 160.03 0.7 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.802 163.015 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.16 -18.61 8.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.064 1.176 . . . . 0.0 113.07 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.507 -169.573 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.2 m -67.57 -37.12 82.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 113.622 -1.626 . . . . 0.0 112.857 176.69 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 m -79.67 -32.14 41.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 126.855 2.597 . . . . 0.0 108.721 -173.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 71.1 mt -75.21 -39.19 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.364 178.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.94 63.99 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.443 174.055 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 125' ' ' THR . 29.6 t0 -59.2 -55.36 35.96 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 113.069 -1.878 . . . . 0.0 112.276 170.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.7 ptp -70.66 -28.81 65.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.897 0.748 . . . . 0.0 112.119 -174.53 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -65.37 -56.46 12.46 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.766 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.34 -43.5 83.47 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.776 -1.556 . . . . 0.0 114.165 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.66 -47.15 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 113.763 -1.562 . . . . 0.0 112.079 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 57' ' ' LEU . 33.6 mt -93.41 11.43 28.41 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.58 1.175 . . . . 0.0 112.329 -168.592 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.29 65.8 2.34 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.223 0.952 . . . . 0.0 111.65 176.084 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -149.27 155.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.408 -174.541 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 CA--C 1.542 0.662 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.145 178.061 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.688 0.756 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -90.43 89.2 7.48 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.033 -1.894 . . . . 0.0 109.012 -178.603 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -105.73 165.27 11.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.575 -2.102 . . . . 0.0 112.15 -170.572 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -111.94 110.02 20.12 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 108.898 -3.774 . . . . 0.0 106.414 159.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 53' ' ' THR . 93.6 m -96.26 115.69 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.178 -2.283 . . . . 0.0 107.526 -176.464 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.03 137.76 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.307 0 CA-C-N 112.177 -2.283 . . . . 0.0 106.355 171.824 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 0.9 OUTLIER -130.17 126.45 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.786 1 CA-C-N 108.185 -4.098 . . . . 0.0 104.023 -164.776 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.67 129.46 38.83 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 117.299 -1.76 . . . . 0.0 111.084 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.45 145.27 16.01 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.564 165.032 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -97.82 120.64 47.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 170.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -96.79 143.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-N 112.848 -1.978 . . . . 0.0 108.723 -166.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.97 123.29 5.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 111.476 -2.602 . . . . 0.0 109.284 -174.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -71.92 160.78 31.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 112.288 -1.956 . . . . 0.0 112.2 -171.287 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 67.46 147.26 0.05 OUTLIER 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.749 -2.478 . . . . 0.0 111.741 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t 81.46 -1.06 1.66 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 111.658 -2.519 . . . . 0.0 112.502 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.2 m80 64.57 -115.62 0.38 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 114.557 -1.202 . . . . 0.0 112.356 164.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.88 35.64 1.38 Allowed 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.873 1.358 . . . . 0.0 111.51 -171.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.5 115.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.729 178.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.68 48.56 66.24 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.943 -174.062 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -164.53 40.49 0.08 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.571 -176.498 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -118.96 -51.21 2.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 112.663 -2.062 . . . . 0.0 108.29 -178.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tp -104.63 30.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 112.669 -2.06 . . . . 0.0 110.909 174.195 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -93.66 43.08 1.11 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 113.227 -1.806 . . . . 0.0 108.329 157.028 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -171.26 170.06 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 111.958 -2.383 . . . . 0.0 105.471 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 m80 62.09 32.8 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.815 -174.039 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.3 p -152.74 -54.87 0.12 Allowed 'General case' 0 C--N 1.349 0.546 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.504 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.71 -48.13 64.64 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 112.099 -2.319 . . . . 0.0 109.339 177.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -75.74 -34.39 60.31 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.054 -2.339 . . . . 0.0 109.928 -174.096 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -80.93 20.45 0.78 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 110.855 -2.884 . . . . 0.0 111.953 168.735 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.64 23.37 8.83 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 163.604 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.73 38.89 93.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 112.521 -2.127 . . . . 0.0 112.885 177.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.19 155.8 17.55 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.08 173.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -78.91 104.84 9.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.934 -2.394 . . . . 0.0 104.992 161.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.57 108.8 22.36 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.555 -173.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.53 111.47 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 110.667 -2.969 . . . . 0.0 107.235 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.75 107.18 17.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 111.976 -2.375 . . . . 0.0 106.409 177.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.87 -24.6 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.248 178.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.42 -124.55 7.48 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 112.118 -2.31 . . . . 0.0 109.022 170.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 m -97.06 170.31 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 111.53 -2.335 . . . . 0.0 110.421 -171.291 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -17.61 130.24 0.01 OUTLIER 'General case' 0 C--N 1.347 0.478 0 CA-C-N 110.02 -3.264 . . . . 0.0 115.1 164.023 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 -62.19 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 110.79 -2.914 . . . . 0.0 106.601 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p 138.04 167.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.905 0 O-C-N 126.582 2.426 . . . . 0.0 108.089 -177.461 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -47.72 -50.24 25.75 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.093 -2.321 . . . . 0.0 112.861 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.71 -20.74 65.19 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 124.324 1.015 . . . . 0.0 113.471 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.29 -29.6 20.26 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 124.171 0.92 . . . . 0.0 111.395 177.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.34 -39.16 54.71 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 123.247 1.499 . . . . 0.0 111.607 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -49.75 -38.48 13.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 109.857 -3.338 . . . . 0.0 111.859 159.159 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.88 -28.81 67.84 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.319 1.012 . . . . 0.0 111.697 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.74 -28.9 62.92 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.009 0.818 . . . . 0.0 110.613 167.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.15 67.52 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 116.297 -2.161 . . . . 0.0 113.76 167.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.84 -38.93 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.759 174.668 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -77.02 -50.39 13.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.01 -1.45 . . . . 0.0 112.022 -169.763 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HB ' HG21 ' A' ' 5' ' ' THR . 16.5 p -96.78 -29.27 13.85 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 125.525 1.766 . . . . 0.0 114.001 -173.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 86.53 75.63 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 O-C-N 125.853 1.971 . . . . 0.0 109.392 176.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -65.09 146.99 54.27 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 110.066 -3.243 . . . . 0.0 111.025 -175.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -33.6 15.87 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.552 154.639 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 6' ' ' ILE 0.274 2.7 pt? -140.57 144.74 36.02 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 123.152 1.454 . . . . 0.0 112.258 -176.557 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.497 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.5 mt -126.29 132.8 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 110.472 -3.058 . . . . 0.0 107.78 -179.579 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 m -114.93 140.72 48.78 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.078 -176.428 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.57 121.85 46.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 110.543 -3.026 . . . . 0.0 105.929 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.08 113.0 23.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.83 -171.337 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -111.34 122.58 48.22 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.018 -170.102 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -108.09 26.73 10.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.956 -175.52 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.12 178.91 8.97 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.672 -1.149 . . . . 0.0 107.966 -178.457 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.51 32.52 4.45 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.12 171.068 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -121.3 13.57 11.13 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 125.001 1.06 . . . . 0.0 109.431 178.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.49 -18.97 74.84 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.821 -176.267 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.38 -27.93 60.88 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.269 -1.465 . . . . 0.0 111.509 176.675 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -85.48 -44.08 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 113.164 -1.835 . . . . 0.0 109.87 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.06 -29.93 55.33 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.177 -1.828 . . . . 0.0 112.77 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' CB ' HG21 ' A' ' 90' ' ' VAL . 16.3 p -78.11 -39.04 42.55 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.364 1.04 . . . . 0.0 110.883 175.178 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.61 125.07 23.08 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.892 -1.504 . . . . 0.0 111.664 -172.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.11 11.76 72.24 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 112.321 -2.218 . . . . 0.0 112.638 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 32.0 tp -75.55 -30.23 59.65 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.463 0.743 . . . . 0.0 110.139 154.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -51.63 -54.26 29.81 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.502 1.126 . . . . 0.0 110.548 166.831 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.406 26.8 tt0 -77.47 -26.13 51.12 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 28.3 mmtp -76.24 -29.38 57.5 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.924 1.39 . . . . 0.0 113.5 169.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 74' ' ' LEU . 78.8 m -77.31 -34.65 55.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 123.332 1.539 . . . . 0.0 111.538 172.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.18 -44.21 84.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 110.094 -3.23 . . . . 0.0 109.871 171.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.278 32.7 mt-10 -73.28 -29.66 62.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 109.747 -3.388 . . . . 0.0 112.76 -176.355 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.76 0.33 13.38 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.468 -177.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 34.06 48.71 Favored Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -178.017 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.2 mt -135.95 44.91 2.43 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.865 -2.168 . . . . 0.0 108.696 -171.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 123.14 31.72 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.647 -2.069 . . . . 0.0 109.442 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.87 -31.17 2.22 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 107.309 -2.316 . . . . 0.0 107.309 -173.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.4 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.2 mp -64.83 124.84 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.407 -2.397 . . . . 0.0 110.851 169.25 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.1 143.73 26.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 108.84 -3.8 . . . . 0.0 108.19 169.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.497 HD22 ' HB ' ' A' ' 58' ' ' ILE . 36.4 mt -121.23 130.64 53.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.778 -169.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.86 137.01 46.61 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 110.546 -3.025 . . . . 0.0 107.308 175.336 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG21 ' CB ' ' A' ' 71' ' ' CYS . 7.5 p -136.18 123.91 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 112.658 -2.065 . . . . 0.0 107.78 176.687 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.34 152.05 21.77 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.815 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.99 -153.88 25.59 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 111.543 -2.328 . . . . 0.0 108.869 -178.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -97.04 60.69 1.72 Allowed 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.137 -1.531 . . . . 0.0 108.529 171.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.619 ' H ' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -80.25 152.35 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 112.08 -2.327 . . . . 0.0 106.934 -175.577 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.263 0.3 OUTLIER 81.06 174.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 112.41 -2.177 . . . . 0.0 111.168 -172.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -91.97 22.91 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 109.354 -3.566 . . . . 0.0 111.871 -169.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.94 -169.74 12.2 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.397 -169.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? 57.96 29.14 17.21 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 112.743 -1.729 . . . . 0.0 112.634 174.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -156.44 99.58 1.91 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.825 -1.989 . . . . 0.0 107.428 -171.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -94.51 55.0 1.89 Allowed 'General case' 0 C--N 1.351 0.669 0 CA-C-N 113.27 -1.787 . . . . 0.0 109.598 -177.523 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.363 1.9 m-90 77.33 10.64 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 N-CA-C 120.522 3.527 . . . . 0.0 120.522 173.157 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -82.09 -52.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.975 0 CA-C-N 122.203 1.823 . . . . 0.0 111.311 164.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.16 -29.8 38.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.466 -2.152 . . . . 0.0 111.459 -173.118 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.18 -46.55 83.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.796 -174.639 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -73.55 -28.0 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.328 -1.305 . . . . 0.0 111.075 178.291 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.66 -43.15 97.99 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.33 176.048 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -75.49 -53.11 9.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.773 -175.158 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.93 -49.62 69.68 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.46 -169.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -69.29 -28.59 66.42 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.131 -2.304 . . . . 0.0 112.538 -178.398 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.0 69.11 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.038 0.836 . . . . 0.0 112.471 172.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.58 -45.02 84.86 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.314 1.009 . . . . 0.0 109.926 169.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.35 1.03 1.11 Allowed Glycine 0 CA--C 1.537 1.415 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.252 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 146.04 15.28 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.185 0.993 . . . . 0.0 111.604 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.3 -61.29 2.05 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 112.141 -2.299 . . . . 0.0 109.601 -174.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -145.07 150.16 36.34 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.161 -175.163 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.12 122.9 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.812 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -92.27 116.77 67.07 Favored Pre-proline 0 C--N 1.357 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 169.53 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -56.58 170.4 1.33 Allowed 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 120.856 1.037 . . . . 0.0 113.941 168.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -73.05 118.92 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 120.667 0.911 . . . . 0.0 111.068 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 105.13 26.21 6.4 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 112.84 -1.982 . . . . 0.0 112.393 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -89.01 137.06 32.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 122.316 1.055 . . . . 0.0 108.873 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 p -60.77 167.08 3.73 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 111.812 -2.449 . . . . 0.0 109.9 170.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.13 -13.2 9.1 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 120.597 0.864 . . . . 0.0 113.099 167.178 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.95 -29.85 69.82 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 121.6 0.714 . . . . 0.0 111.628 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -70.14 -36.65 74.93 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.036 -1.893 . . . . 0.0 112.211 175.818 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.5 m -79.57 -31.03 41.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 127.481 2.988 . . . . 0.0 109.478 -172.184 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.12 -42.0 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.775 178.151 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 112.532 -2.122 . . . . 0.0 109.715 176.223 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 125' ' ' THR . 19.2 t0 -60.02 -55.25 36.33 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.757 -2.02 . . . . 0.0 112.7 171.406 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.4 ptp -69.28 -28.93 66.72 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.003 0.814 . . . . 0.0 111.977 -172.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -70.93 -57.09 4.92 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.661 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.18 -33.49 65.32 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.67 -46.5 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.434 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.0 mt -97.33 40.31 1.16 Allowed 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.257 0.973 . . . . 0.0 112.021 -167.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.28 43.77 37.35 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 114.326 -1.307 . . . . 0.0 112.744 171.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.33 -160.56 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -178.479 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.671 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.381 171.559 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 121.563 0.696 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 157.19 28.43 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.281 -1.781 . . . . 0.0 110.058 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.95 165.34 11.27 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 111.778 -2.465 . . . . 0.0 108.222 178.092 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.67 109.72 21.62 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.216 -1.811 . . . . 0.0 107.44 171.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 53' ' ' THR . 29.7 m -96.32 134.76 39.04 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.346 171.418 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.516 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -110.15 122.64 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.009 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 164.811 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.5 t -101.38 124.91 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 CA-C-N 108.826 -3.806 . . . . 0.0 102.654 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -132.32 129.08 39.02 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 117.956 -1.498 . . . . 0.0 109.089 173.635 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.85 145.4 15.96 Favored Glycine 0 C--N 1.357 1.72 0 CA-C-N 111.859 -2.428 . . . . 0.0 109.523 175.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.91 119.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.142 0 C-N-CA 114.226 -2.99 . . . . 0.0 106.128 178.567 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 142.04 16.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 O-C-N 125.569 1.793 . . . . 0.0 110.173 -163.728 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.15 -105.96 0.59 Allowed Glycine 0 C--N 1.344 0.975 0 CA-C-N 109.953 -3.294 . . . . 0.0 109.95 178.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.8 p -168.02 -141.68 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 113.194 -1.503 . . . . 0.0 107.253 -175.196 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 68.83 168.99 0.29 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.28 169.397 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.14 52.99 1.06 Allowed 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.526 -2.125 . . . . 0.0 107.714 169.121 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -160.86 124.8 3.47 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.6 -169.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.18 85.14 1.45 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.628 -1.624 . . . . 0.0 109.565 -175.141 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.15 138.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 112.755 -2.021 . . . . 0.0 109.384 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.69 157.51 1.19 Allowed Glycine 0 C--N 1.349 1.287 0 CA-C-N 111.826 -2.443 . . . . 0.0 112.075 173.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 58.94 26.97 15.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 111.962 -2.119 . . . . 0.0 113.431 165.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.07 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.347 0.461 0 CA-C-N 113.906 -1.497 . . . . 0.0 107.819 179.042 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.2 tp -89.0 -23.08 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.914 163.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -135.15 66.47 1.52 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.073 173.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -102.27 -25.34 13.71 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.39 170.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -48.79 -38.26 21.5 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 125.996 2.06 . . . . 0.0 113.03 -172.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -61.41 -44.57 96.91 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.254 -1.794 . . . . 0.0 112.712 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.23 -36.03 66.37 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.088 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.25 -32.47 73.51 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.326 -1.761 . . . . 0.0 110.647 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -103.48 22.29 14.52 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.712 -2.04 . . . . 0.0 110.94 176.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.02 2.06 53.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.147 166.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.63 26.12 66.02 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.229 -173.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -97.75 157.0 16.31 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 118.169 -1.412 . . . . 0.0 107.76 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.77 115.9 17.88 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 103.455 -2.794 . . . . 0.0 103.455 160.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.18 108.75 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 109.17 -177.082 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.71 110.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 111.392 -2.64 . . . . 0.0 107.826 178.034 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -86.98 98.02 11.03 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.107 173.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -73.55 -41.73 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 112.462 -2.153 . . . . 0.0 107.736 167.256 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 -21.73 25.66 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 112.24 -2.255 . . . . 0.0 115.27 151.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.29 170.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -159.109 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 14.8 mt -39.96 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.732 4.413 . . . . 0.0 115.009 -172.362 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 p -65.96 101.53 0.68 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -178.83 65.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.757 0 CA-C-N 112.404 -2.18 . . . . 0.0 109.465 -171.439 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -61.28 -28.95 69.55 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 112.541 -2.118 . . . . 0.0 112.2 170.117 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.35 -28.5 69.74 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.177 1.548 . . . . 0.0 111.179 176.201 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -87.01 -26.68 23.63 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.734 -1.576 . . . . 0.0 111.18 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.39 -39.55 53.37 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-O 123.516 1.627 . . . . 0.0 111.857 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -49.84 -40.3 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.588 -3.46 . . . . 0.0 111.409 161.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -72.38 -28.82 63.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 124.608 1.192 . . . . 0.0 111.688 -174.288 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.852 ' O ' HG22 ' A' ' 53' ' ' THR . . . -72.28 -28.6 63.21 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.483 167.672 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.52 60.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.398 1.062 . . . . 0.0 112.919 170.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.69 -36.58 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 171.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.62 -50.87 26.76 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.277 -171.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 5' ' ' THR . 1.1 t -91.07 -39.61 12.08 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 110.793 -2.912 . . . . 0.0 112.351 -168.452 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 85.89 77.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.661 0 CA-C-N 111.449 -2.614 . . . . 0.0 109.464 -164.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.84 58.23 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.504 -178.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -30.03 17.71 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.187 -1.37 . . . . 0.0 110.002 156.275 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 6' ' ' ILE 0.324 2.6 pt? -140.45 145.03 36.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 122.95 1.357 . . . . 0.0 112.963 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 46.0 mt -122.89 125.1 71.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 110.74 -2.936 . . . . 0.0 107.548 177.37 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.32 137.19 52.31 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 111.591 -2.549 . . . . 0.0 110.316 -175.293 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.47 121.82 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 110.457 -3.065 . . . . 0.0 106.526 178.318 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t -115.01 112.73 23.11 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.725 1.266 . . . . 0.0 108.361 -174.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -109.31 135.23 50.72 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.116 -155.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.83 72.04 0.07 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-N 113.457 -1.702 . . . . 0.0 111.043 176.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 20.48 0.36 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.286 168.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.87 18.57 68.72 Favored Glycine 0 C--N 1.358 1.796 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.053 173.284 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -148.86 42.4 0.96 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 123.048 1.404 . . . . 0.0 107.938 -171.196 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.97 78.76 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 112.382 -2.19 . . . . 0.0 112.546 -174.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CB ' HH22 ' A' ' 107' ' ' ARG . 13.4 pt-20 -79.1 -30.49 43.86 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.418 -0.891 . . . . 0.0 110.813 174.459 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.68 -44.27 79.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 112.8 -2.0 . . . . 0.0 110.687 -170.635 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -77.3 -56.66 4.36 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 117.063 -1.855 . . . . 0.0 110.807 172.062 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.4 m -71.59 -38.8 70.83 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.736 -1.574 . . . . 0.0 112.745 -150.405 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.66 117.44 8.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.34 1.067 . . . . 0.0 111.496 -173.337 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.541 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 103.02 20.69 10.95 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 111.688 -2.505 . . . . 0.0 111.714 -176.018 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.53 -26.97 58.5 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.59 0.817 . . . . 0.0 111.199 161.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . 17.9 tpp180 -56.49 -54.36 46.71 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.562 168.844 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.376 24.5 mp0 -77.08 -26.07 53.03 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 116.993 2.219 . . . . 0.0 116.993 -177.919 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -76.26 -29.26 57.39 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 125.654 1.846 . . . . 0.0 113.166 169.19 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.13 -33.81 56.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 123.19 1.472 . . . . 0.0 111.356 174.105 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.77 -34.79 67.2 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 110.552 -3.022 . . . . 0.0 110.437 173.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.323 2.0 pt-20 -73.13 -29.92 63.24 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.724 -2.489 . . . . 0.0 112.205 177.251 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.65 1.5 10.07 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.109 -2.314 . . . . 0.0 112.497 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.76 46.23 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.4 mt -140.71 43.48 1.84 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.802 -2.199 . . . . 0.0 108.831 -171.132 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 112.09 18.29 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 113.318 -1.764 . . . . 0.0 109.089 170.064 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.01 -29.3 0.59 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.798 -2.455 . . . . 0.0 108.453 -170.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.92 127.54 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 111.582 -2.309 . . . . 0.0 109.857 165.745 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -87.78 146.06 25.81 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 110.912 -2.858 . . . . 0.0 107.671 161.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.1 mt -125.25 133.8 52.55 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 122.545 1.164 . . . . 0.0 112.015 -170.717 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -107.94 129.95 55.07 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.223 -2.717 . . . . 0.0 107.787 169.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.0 123.94 71.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.716 167.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.58 152.33 20.64 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 112.128 -2.305 . . . . 0.0 108.45 -171.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.22 -144.92 16.99 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 177.866 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -79.92 -34.8 38.65 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.666 -1.767 . . . . 0.0 110.302 173.121 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.467 HD11 ' CH2' ' A' ' 101' ' ' TRP 0.266 2.7 pp 46.23 39.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.524 178.961 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.702 HG22 ' H ' ' A' ' 96' ' ' VAL 0.261 12.4 p 58.21 -150.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-N 111.502 -2.59 . . . . 0.0 108.038 173.655 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.702 ' H ' HG22 ' A' ' 95' ' ' VAL . 55.2 t -129.82 117.86 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-N 111.111 -2.768 . . . . 0.0 106.519 153.339 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.57 ' H ' HG13 ' A' ' 104' ' ' VAL . . . -91.48 62.23 2.76 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 112.292 -2.231 . . . . 0.0 109.958 175.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 73.25 122.04 0.04 OUTLIER 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.15 -2.025 . . . . 0.0 110.09 -175.24 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 72.94 -100.18 0.03 OUTLIER 'General case' 0 C--N 1.355 0.828 0 CA-C-N 113.594 -1.639 . . . . 0.0 112.234 172.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -177.08 147.48 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 112.769 -2.014 . . . . 0.0 106.669 -171.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.467 ' CH2' HD11 ' A' ' 94' ' ' ILE 0.49 1.2 m-90 24.93 -76.59 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 119.438 3.125 . . . . 0.0 119.438 168.252 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.05 -43.99 29.16 Favored 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 115.66 1.369 . . . . 0.0 115.66 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -80.19 -40.35 27.39 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.976 178.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.57 HG13 ' H ' ' A' ' 97' ' ' GLY . 67.9 t -68.73 -51.76 42.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.232 -171.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.0 -34.11 74.3 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 124.882 1.364 . . . . 0.0 112.47 174.698 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.55 -37.18 80.4 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.522 175.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.459 HH22 ' CB ' ' A' ' 68' ' ' GLU . 57.4 ttp85 -78.11 -42.36 32.22 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.392 1.057 . . . . 0.0 112.175 -176.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.74 -53.94 19.0 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.46 -175.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -70.74 -32.05 69.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.68 -175.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.0 62.96 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.308 1.005 . . . . 0.0 112.096 -179.17 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.541 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.55 -33.53 75.24 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 118.937 -1.105 . . . . 0.0 110.184 175.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.13 -39.21 0.11 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 118.669 -1.729 . . . . 0.0 113.156 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.58 146.09 37.12 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.496 1.141 . . . . 0.0 112.391 -166.19 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.94 -49.26 20.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.267 -2.242 . . . . 0.0 109.821 178.62 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -145.06 148.83 34.11 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.818 -165.096 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -123.31 114.01 40.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.896 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -89.88 116.77 67.16 Favored Pre-proline 0 C--N 1.36 1.048 0 O-C-N 124.263 0.977 . . . . 0.0 110.547 168.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -57.57 177.46 0.22 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 N-CA-C 116.462 1.678 . . . . 0.0 116.462 169.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.57 120.29 7.95 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.614 1.542 . . . . 0.0 113.661 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.06 44.21 37.0 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.448 -1.705 . . . . 0.0 112.989 173.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -81.37 137.2 35.74 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.619 -1.29 . . . . 0.0 108.648 172.696 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 p -55.04 160.21 3.27 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 112.165 -2.289 . . . . 0.0 109.994 170.38 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.11 -11.97 9.64 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 O-C-N 122.85 0.921 . . . . 0.0 113.45 171.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -69.75 -29.92 67.38 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.056 0.847 . . . . 0.0 110.468 -176.341 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.95 -37.4 75.82 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.948 174.829 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.9 m -79.57 -33.06 42.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.521 2.388 . . . . 0.0 109.158 -169.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 66.4 mt -75.12 -42.25 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 126.386 2.304 . . . . 0.0 109.885 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.22 -30.93 63.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.084 -1.871 . . . . 0.0 110.625 175.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 125' ' ' THR . 67.3 t0 -65.45 -48.54 72.36 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 112.75 -2.023 . . . . 0.0 112.651 171.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.6 ptp -68.52 -28.94 67.44 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.731 0.696 . . . . 0.0 112.472 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -68.17 -57.1 6.58 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.561 177.104 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.08 -37.71 77.74 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.514 -177.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.68 -47.05 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.833 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.3 mt -89.62 3.23 53.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 124.326 1.016 . . . . 0.0 111.987 -167.443 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.28 61.16 1.41 Allowed Glycine 0 C--N 1.354 1.561 0 O-C-N 124.214 0.946 . . . . 0.0 110.925 175.517 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.98 157.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 112.227 -1.986 . . . . 0.0 107.292 -175.026 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.95 175.785 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 121.671 0.748 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.52 121.75 24.99 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.39 174.727 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -105.73 165.12 11.4 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.317 -174.379 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.88 135.09 54.58 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 109.597 -3.456 . . . . 0.0 108.207 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.641 HG22 ' HB2' ' A' ' 55' ' ' ALA . 13.4 m -101.94 123.35 45.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.373 -2.649 . . . . 0.0 107.928 -178.388 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -122.01 147.21 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 129.896 3.278 . . . . 0.0 104.243 170.883 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 35' ' ' VAL 0.282 2.3 t -130.14 130.98 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 108.719 -3.855 . . . . 0.0 103.524 -174.362 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.33 129.15 39.11 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 116.859 -1.936 . . . . 0.0 109.761 166.801 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.89 145.83 16.11 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 111.18 -2.736 . . . . 0.0 109.293 174.359 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 13' ' ' SER . 62.0 t -97.85 120.48 47.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.051 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 tt -109.22 136.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 125.24 1.588 . . . . 0.0 109.52 -168.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.48 63.95 3.31 Favored Glycine 0 C--N 1.35 1.316 0 CA-C-N 112.798 -2.001 . . . . 0.0 109.104 -175.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.444 ' CB ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -156.58 47.66 0.45 Allowed 'General case' 0 C--N 1.346 0.427 0 CA-C-N 110.997 -2.602 . . . . 0.0 108.79 -157.374 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.16 82.69 3.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 112.174 -2.285 . . . . 0.0 110.056 -174.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 p 176.28 -69.0 0.01 OUTLIER 'General case' 0 C--N 1.346 0.427 0 CA-C-N 111.042 -2.799 . . . . 0.0 106.9 -174.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -174.34 174.44 2.81 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.128 -1.851 . . . . 0.0 108.122 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.51 76.62 8.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.439 -1.709 . . . . 0.0 109.01 172.254 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.72 113.84 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.133 -169.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.77 -46.87 2.08 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.261 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -65.84 -21.88 66.5 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 113.08 -1.56 . . . . 0.0 112.314 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -60.68 -41.15 94.53 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.54 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.042 175.774 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.94 -12.06 60.08 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.082 -168.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -71.8 145.39 48.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.501 171.073 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.2 t60 73.85 40.5 0.47 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.102 -171.068 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -124.62 -47.95 1.82 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 111.041 -2.8 . . . . 0.0 106.496 162.114 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -74.49 -43.26 56.83 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 112.351 -2.204 . . . . 0.0 109.004 175.367 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -37.07 86.02 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 112.799 -2.001 . . . . 0.0 110.296 174.096 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -89.28 19.05 4.6 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.08 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.53 4.5 52.0 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.159 176.233 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.93 74.38 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.246 -171.339 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -100.45 153.14 19.6 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -78.86 104.79 9.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 165.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.4 t -127.07 113.68 33.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.88 -173.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.95 110.95 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 110.899 -2.864 . . . . 0.0 107.551 165.653 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -85.88 97.96 10.51 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.989 -1.914 . . . . 0.0 107.131 171.7 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -22.53 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.58 176.429 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.17 -87.24 1.03 Allowed Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.217 -1.81 . . . . 0.0 112.289 151.757 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.14 170.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 112.482 -1.859 . . . . 0.0 110.217 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.95 144.7 4.46 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.581 -3.009 . . . . 0.0 112.666 -175.852 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -157.29 -79.33 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 111.255 -2.702 . . . . 0.0 108.471 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t 170.03 155.09 0.05 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.877 1.36 . . . . 0.0 108.112 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 88.6 mt-30 -48.01 -55.02 11.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.654 -1.165 . . . . 0.0 111.712 170.82 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.27 -16.44 45.54 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.935 1.397 . . . . 0.0 112.76 -176.199 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.34 -31.8 15.94 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.188 -177.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -40.45 49.88 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 123.618 1.675 . . . . 0.0 111.669 176.523 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.9 mt -49.85 -37.12 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 109.513 -3.494 . . . . 0.0 112.247 158.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.29 -28.81 67.51 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.195 -179.024 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.43 77.42 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.316 1.01 . . . . 0.0 109.824 163.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -30.29 66.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 176.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.64 -37.29 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.644 174.859 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.21 -50.26 28.93 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.003 -172.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.632 ' HB ' HG21 ' A' ' 5' ' ' THR . 18.9 p -105.09 -25.73 12.4 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 113.471 -1.695 . . . . 0.0 112.946 -169.72 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 88.03 62.01 0.01 OUTLIER 'General case' 0 C--N 1.346 0.417 0 O-C-N 125.748 1.905 . . . . 0.0 109.975 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -85.37 122.43 29.51 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.639 -174.528 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.44 -14.81 48.24 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 126.118 2.136 . . . . 0.0 109.281 172.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.45 144.34 44.35 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 124.383 2.04 . . . . 0.0 112.17 167.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.538 ' HB ' HD22 ' A' ' 88' ' ' LEU . 15.6 mt -132.14 120.7 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 1 CA-C-N 108.32 -4.037 . . . . 0.0 108.112 -177.541 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.01 140.89 36.69 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.688 175.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.22 121.45 37.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 111.303 -2.68 . . . . 0.0 105.382 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.44 113.18 23.38 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 113.511 -1.677 . . . . 0.0 108.747 -173.171 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.84 126.23 47.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.66 -39.79 43.85 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.678 -175.149 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 49.2 t80 -88.64 -172.68 3.83 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 164.256 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 64' ' ' TYR . . . -77.78 49.46 3.12 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.683 161.627 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 1.22 36.96 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.724 -1.238 . . . . 0.0 111.615 -168.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.09 -18.91 70.94 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.848 -1.524 . . . . 0.0 113.569 -171.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.2 -31.24 71.49 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 117.271 -1.772 . . . . 0.0 110.342 176.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -91.21 -44.49 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.202 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -77.53 -56.21 4.72 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.463 -172.645 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.09 -37.3 46.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.045 -2.343 . . . . 0.0 111.373 -163.064 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.52 116.82 5.02 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.108 -168.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.33 32.55 31.0 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 112.616 -2.084 . . . . 0.0 112.104 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.76 -27.83 58.21 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 125.006 1.062 . . . . 0.0 112.663 162.517 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 64.9 ttp85 -73.23 -37.42 66.39 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 116.585 -2.046 . . . . 0.0 109.262 175.526 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.438 15.1 tp10 -77.57 -26.21 50.64 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.263 1.1 tpmt? -76.2 -29.43 57.62 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 125.255 1.597 . . . . 0.0 112.019 167.459 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.812 ' SG ' HG22 ' A' ' 86' ' ' ILE . 14.5 p -77.13 -43.01 35.64 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 123.485 1.612 . . . . 0.0 110.083 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.07 -37.57 87.91 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 109.476 -3.511 . . . . 0.0 108.469 176.674 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 29.1 mm-40 -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 112.354 -2.203 . . . . 0.0 113.485 175.803 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -0.11 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.92 -177.395 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.68 37.85 18.58 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 120.06 -1.067 . . . . 0.0 110.963 -177.366 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.12 -165.32 1.3 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.039 -2.081 . . . . 0.0 105.846 171.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 86' ' ' ILE 0.326 61.6 mmtt -70.83 -173.42 0.78 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.445 -2.161 . . . . 0.0 114.243 -175.654 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.21 49.98 1.49 Allowed Glycine 0 C--N 1.345 1.045 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 158.727 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.812 HG22 ' SG ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -63.74 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.732 -3.734 . . . . 0.0 106.925 -167.187 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -87.47 117.03 25.99 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 109.768 -3.378 . . . . 0.0 108.226 -159.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.544 HD21 ' CG2' ' A' ' 86' ' ' ILE . 21.6 mt -110.65 140.34 45.09 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 113.424 -1.716 . . . . 0.0 110.952 -163.591 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -107.67 145.34 33.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 110.565 -3.016 . . . . 0.0 107.103 172.058 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.25 123.96 34.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 114.235 -1.348 . . . . 0.0 108.157 170.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.19 152.17 17.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.334 -164.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.84 -134.91 13.85 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-N 110.817 -2.692 . . . . 0.0 110.406 174.571 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -74.97 145.71 42.3 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.756 -1.722 . . . . 0.0 107.179 164.616 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt -147.88 -36.16 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.543 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.3 p -115.28 162.55 13.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 123.62 1.676 . . . . 0.0 108.922 -176.323 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.31 55.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 108.959 -3.746 . . . . 0.0 108.202 178.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.19 -91.54 0.37 Allowed Glycine 0 C--N 1.35 1.328 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.915 -169.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 48.97 51.56 15.91 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 112.643 -1.779 . . . . 0.0 110.471 -177.17 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 76.9 -132.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 109.534 -3.484 . . . . 0.0 107.954 -169.414 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -154.51 152.95 30.69 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.402 1.063 . . . . 0.0 108.277 -178.195 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.5 1.5 m-90 22.32 -67.0 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 130.397 3.479 . . . . 0.0 119.572 161.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.88 -50.56 11.5 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.41 1.182 . . . . 0.0 115.165 169.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.06 -35.64 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 113.475 -1.693 . . . . 0.0 112.681 177.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.73 -43.88 76.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.82 -173.359 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -71.91 -28.24 63.36 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.088 177.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -58.57 -42.81 88.79 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.978 172.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -72.91 -50.12 25.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.965 -177.014 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -71.21 -46.43 61.22 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.857 -1.519 . . . . 0.0 111.59 -170.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -75.47 -28.83 59.4 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.016 -1.902 . . . . 0.0 112.235 -175.284 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.14 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.485 1.116 . . . . 0.0 111.169 175.595 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -43.86 96.09 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.925 174.141 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.468 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 163.8 -11.46 0.09 OUTLIER Glycine 0 C--N 1.355 1.621 0 C-N-CA 118.72 -1.705 . . . . 0.0 114.217 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.24 135.14 51.53 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 122.59 1.186 . . . . 0.0 111.182 -176.482 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.7 -56.97 6.41 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 111.768 -2.469 . . . . 0.0 109.848 -177.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.2 156.01 43.6 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.787 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.22 139.0 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 112.557 -2.11 . . . . 0.0 110.021 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -106.58 126.14 31.09 Favored Pre-proline 0 C--N 1.359 1.004 0 O-C-N 124.867 1.354 . . . . 0.0 109.845 164.005 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.96 177.06 0.75 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 121.352 1.368 . . . . 0.0 114.067 167.547 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.97 119.05 4.95 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.006 1.138 . . . . 0.0 110.971 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.01 41.35 3.08 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.892 178.375 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 137.13 40.78 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.588 -1.306 . . . . 0.0 109.436 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -59.97 160.16 17.22 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.222 170.009 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.16 -13.39 8.96 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 120.898 1.066 . . . . 0.0 114.773 170.087 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.82 -29.67 70.64 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.543 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.446 -1.707 . . . . 0.0 113.006 176.6 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 m -79.59 -34.49 40.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 127.244 2.84 . . . . 0.0 109.74 -171.68 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.18 -40.24 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 111.373 -2.648 . . . . 0.0 109.921 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.87 63.82 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.095 -1.866 . . . . 0.0 110.047 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 5.9 t0 -56.79 -55.41 34.69 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 112.492 -2.14 . . . . 0.0 112.383 171.37 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -71.92 -33.86 68.61 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.336 1.022 . . . . 0.0 111.825 -173.251 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.39 -57.13 14.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.309 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.22 -30.96 70.15 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.937 -176.308 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.18 -39.0 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.166 177.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.8 -5.63 59.05 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.801 1.313 . . . . 0.0 110.403 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.94 59.34 10.31 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.001 172.39 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.48 135.91 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 111.962 -2.119 . . . . 0.0 109.815 -170.828 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.351 0.633 0 CA-C-N 112.872 -1.967 . . . . 0.0 109.053 -175.8 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 121.833 0.825 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.78 160.0 21.32 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.998 177.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.95 165.25 11.34 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.479 -2.146 . . . . 0.0 107.091 174.21 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -112.68 109.64 19.29 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.869 1.356 . . . . 0.0 109.288 176.06 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -89.45 115.93 27.25 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 110.42 -3.082 . . . . 0.0 106.917 175.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.555 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -105.92 149.23 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.905 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 165.454 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG13 HG21 ' A' ' 37' ' ' ILE 0.29 0.9 OUTLIER -130.29 130.76 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.659 -3.882 . . . . 0.0 103.498 -173.465 . . . . . . . . 4 4 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.55 128.99 38.44 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.162 166.551 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.7 145.93 16.18 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 111.732 -2.486 . . . . 0.0 109.032 173.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.47 120.74 47.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 118.231 -1.388 . . . . 0.0 107.787 175.184 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.53 144.14 18.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.079 -2.328 . . . . 0.0 110.99 -167.739 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.27 97.33 1.6 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 110.48 -3.054 . . . . 0.0 112.243 160.679 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m 44.27 65.52 1.03 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 111.165 -2.517 . . . . 0.0 112.165 175.565 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -73.19 109.52 6.77 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.836 -167.298 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -102.89 -74.71 0.63 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.591 172.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -89.16 105.96 18.12 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 164.27 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.25 60.3 3.17 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.005 -1.907 . . . . 0.0 111.197 -167.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.87 119.13 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.844 -1.525 . . . . 0.0 110.661 -179.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.7 -73.7 0.16 Allowed Glycine 0 C--N 1.35 1.306 0 CA-C-N 112.322 -2.217 . . . . 0.0 107.913 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -58.8 -26.82 64.47 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 112.446 -1.877 . . . . 0.0 112.933 174.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -95.47 -48.38 5.87 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.445 -173.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.24 84.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.9 37.68 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 110.647 -2.979 . . . . 0.0 106.656 162.912 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.34 -32.63 7.1 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.09 -2.323 . . . . 0.0 109.966 -162.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -87.06 39.34 0.85 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 113.986 -1.461 . . . . 0.0 112.008 -169.013 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.0 p -135.73 -51.93 0.74 Allowed 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.303 172.386 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -74.9 -47.81 28.0 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.958 -174.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -32.34 73.36 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.649 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -80.21 9.43 5.68 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.242 176.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 1.9 11.67 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 172.772 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.0 32.14 76.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 113.581 -1.645 . . . . 0.0 111.544 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 161.19 28.02 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 116.373 -2.131 . . . . 0.0 107.296 174.229 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -90.41 104.41 17.0 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 114.64 -2.824 . . . . 0.0 104.203 160.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.29 141.14 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 111.179 -2.737 . . . . 0.0 107.936 -169.938 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 114.98 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.392 -163.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.8 97.93 10.46 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 173.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -69.56 -28.49 37.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.552 -166.343 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.03 -175.22 18.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.888 177.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -88.2 125.07 41.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 111.176 -2.512 . . . . 0.0 108.887 174.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.68 150.3 2.15 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 112.797 -2.001 . . . . 0.0 109.651 166.421 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -104.67 61.54 0.71 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 112.386 -2.188 . . . . 0.0 107.419 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -160.74 113.34 1.97 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.281 -168.422 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 83.8 mt-30 -47.87 -51.52 22.72 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 112.378 -2.192 . . . . 0.0 112.956 168.256 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -23.6 56.44 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 124.645 1.215 . . . . 0.0 112.956 -171.488 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -79.13 -39.32 33.89 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.233 0.958 . . . . 0.0 111.688 177.095 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -38.13 56.7 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 123.002 1.382 . . . . 0.0 112.241 -176.141 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 1.5 mt -49.85 -39.9 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.916 160.514 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -71.19 -28.87 64.54 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.366 1.041 . . . . 0.0 111.109 -175.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.85 61.66 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 169.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.18 67.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 116.409 -2.116 . . . . 0.0 113.386 168.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.76 -42.13 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.839 173.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -77.09 -50.26 13.44 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.919 -1.491 . . . . 0.0 112.989 -169.045 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -99.59 -27.22 13.79 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 125.493 1.746 . . . . 0.0 113.788 -170.205 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 92.65 68.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 126.198 2.186 . . . . 0.0 110.989 167.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.95 133.63 56.24 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 110.933 -2.849 . . . . 0.0 112.081 -173.192 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.2 -34.37 15.84 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 112.812 -1.994 . . . . 0.0 108.831 159.236 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 6' ' ' ILE . 2.7 pt? -140.47 144.95 36.33 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.824 176.696 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 88' ' ' LEU . 79.0 mt -125.67 128.63 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 110.869 -2.878 . . . . 0.0 106.864 179.256 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.62 141.01 47.71 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.146 -177.08 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.02 121.74 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 110.729 -2.942 . . . . 0.0 106.62 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 112.69 25.22 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.292 178.487 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -100.77 116.62 33.1 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.262 -172.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.94 -38.96 90.44 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 110.914 -2.857 . . . . 0.0 110.276 -177.907 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 100.34 61.38 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.481 -2.6 . . . . 0.0 112.196 152.116 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -25.48 23.29 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 110.424 -3.08 . . . . 0.0 109.544 151.441 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -171.08 77.0 0.07 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 114.035 -1.083 . . . . 0.0 110.594 -167.314 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.16 -43.14 9.91 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.594 -168.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -30.41 69.3 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 112.052 -2.074 . . . . 0.0 111.563 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.42 -44.33 41.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.857 -1.52 . . . . 0.0 110.614 -168.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -77.19 -31.21 55.23 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.663 -176.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -78.08 -26.43 48.14 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 119.221 -0.992 . . . . 0.0 112.624 -173.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.41 111.7 0.84 Allowed 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.447 1.092 . . . . 0.0 113.073 -162.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.69 37.88 44.42 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.869 175.208 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.66 -25.9 57.2 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 124.783 0.931 . . . . 0.0 112.687 164.821 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 4.4 tmm_? -73.04 -41.66 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 117.213 -1.795 . . . . 0.0 107.363 179.14 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.415 19.6 tt0 -77.27 -25.95 51.95 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 174.474 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.358 13.3 tppt? -76.11 -29.11 57.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 125.264 1.602 . . . . 0.0 113.046 166.172 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.85 -40.44 47.73 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 123.447 1.594 . . . . 0.0 110.705 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.252 3.9 m-20 -72.1 -30.02 64.67 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 110.183 -3.189 . . . . 0.0 111.388 175.792 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.38 -31.24 63.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 112.416 -2.174 . . . . 0.0 112.52 169.604 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 3.13 7.25 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.868 179.036 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.29 19.34 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 124.254 0.972 . . . . 0.0 110.943 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' HB3' HD13 ' A' ' 86' ' ' ILE . 20.0 mt -141.06 70.27 1.35 Allowed 'General case' 0 C--N 1.346 0.446 0 CA-C-N 111.925 -2.138 . . . . 0.0 106.799 -178.461 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 116.85 32.42 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.135 -2.302 . . . . 0.0 109.268 175.406 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.43 -20.47 2.24 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 111.367 -2.651 . . . . 0.0 108.12 -165.051 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -73.98 124.62 31.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 112.472 -1.864 . . . . 0.0 109.05 169.494 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.75 46.27 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.018 165.675 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 58' ' ' ILE . 8.3 mt -112.83 136.67 52.2 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 123.531 1.634 . . . . 0.0 112.63 -168.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.92 136.9 46.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 109.713 -3.403 . . . . 0.0 108.869 164.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.21 123.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 112.666 -2.061 . . . . 0.0 107.685 174.719 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.19 24.05 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.363 -177.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.1 45.01 0.83 Allowed Glycine 0 C--N 1.353 1.478 0 CA-C-N 111.884 -2.158 . . . . 0.0 111.585 172.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 69.09 131.01 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 O-C-N 125.444 1.32 . . . . 0.0 109.846 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -137.12 -55.72 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.899 -162.805 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.7 146.19 14.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 123.533 1.635 . . . . 0.0 108.55 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -106.06 148.23 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 CA-C-N 109.382 -3.554 . . . . 0.0 109.591 -156.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.81 29.24 10.87 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 111.781 -2.463 . . . . 0.0 110.839 -176.713 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 59.46 35.1 22.81 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.033 -1.584 . . . . 0.0 111.624 -174.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -80.67 125.94 30.65 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.746 -178.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -127.71 146.4 50.58 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 125.448 1.718 . . . . 0.0 111.673 -164.374 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.437 8.2 m-90 27.45 -70.05 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.576 1 C-N-CA 133.069 4.548 . . . . 0.0 118.292 158.808 . . . . . . . . 3 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.93 -48.22 16.82 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-N 119.87 0.989 . . . . 0.0 114.159 170.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.82 -53.35 13.6 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.148 173.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.65 -59.15 4.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 O-C-N 124.821 1.326 . . . . 0.0 111.218 -167.781 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.12 -27.86 66.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.34 -177.347 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.61 -49.99 75.45 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 117.423 -1.711 . . . . 0.0 111.67 173.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -73.45 -36.89 65.95 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.651 1.22 . . . . 0.0 112.222 -175.067 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.61 -44.94 48.2 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.767 1.292 . . . . 0.0 110.145 -170.696 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -72.86 -28.89 62.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.655 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.15 93.17 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.683 1.239 . . . . 0.0 111.616 175.504 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -80.14 -20.92 43.8 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.518 1.136 . . . . 0.0 111.865 178.649 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.433 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 161.16 -38.65 0.42 Allowed Glycine 0 C--N 1.36 1.862 0 C-N-CA 117.325 -2.369 . . . . 0.0 115.612 171.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -50.99 146.13 6.52 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.651 1.215 . . . . 0.0 113.759 -169.107 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.15 -73.21 0.26 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.038 178.2 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.175 0.922 . . . . 0.0 110.285 178.547 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.8 t -119.82 125.91 74.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.447 -173.181 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.7 119.26 68.53 Favored Pre-proline 0 C--N 1.362 1.116 0 O-C-N 124.412 1.07 . . . . 0.0 111.881 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.3 176.39 0.81 Allowed 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 121.61 1.54 . . . . 0.0 115.428 170.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.29 123.48 7.75 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 121.151 1.234 . . . . 0.0 110.975 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.52 26.91 10.29 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 113.05 -1.886 . . . . 0.0 112.235 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -84.5 134.53 34.43 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 114.041 -1.079 . . . . 0.0 108.127 173.117 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -62.06 135.4 94.8 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 113.084 -1.871 . . . . 0.0 107.612 166.403 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 127' ' ' ILE . 22.9 Cg_exo -61.75 -12.27 24.5 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 N-CA-C 114.658 0.984 . . . . 0.0 114.658 174.57 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -70.61 -29.68 66.14 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.652 1.22 . . . . 0.0 111.66 -176.512 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -59.07 -31.9 69.3 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.476 -1.693 . . . . 0.0 113.112 172.624 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.1 m -79.55 -30.87 41.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.782 2.551 . . . . 0.0 108.622 -173.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 123' ' ' PRO . 2.6 mt -75.08 -39.08 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.962 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.8 63.69 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.025 -1.898 . . . . 0.0 110.384 173.02 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' THR . 15.6 t0 -59.67 -55.22 37.17 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 112.998 -1.91 . . . . 0.0 112.07 171.233 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptp -69.59 -28.98 66.41 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.128 0.893 . . . . 0.0 111.942 -173.062 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.34 -57.11 8.17 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.628 1.205 . . . . 0.0 109.369 174.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.35 -35.5 65.3 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.115 -1.402 . . . . 0.0 114.71 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.6 t -70.64 -47.12 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.387 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.6 15.95 8.62 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.536 1.148 . . . . 0.0 112.689 -170.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.1 56.42 5.26 Favored Glycine 0 C--N 1.354 1.557 0 CA-C-O 122.031 0.795 . . . . 0.0 111.748 175.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.63 167.81 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 112.29 -1.955 . . . . 0.0 106.819 -174.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.397 174.904 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 121.835 0.826 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -115.65 -26.88 7.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.558 -2.11 . . . . 0.0 110.079 174.317 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 166.02 24.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.635 -1.621 . . . . 0.0 110.432 -175.923 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -117.13 127.11 53.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 109.66 -3.427 . . . . 0.0 108.671 -175.172 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.487 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.2 m -94.57 131.23 40.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.38 -2.191 . . . . 0.0 107.374 173.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -118.57 149.35 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 C-N-CA 128.664 2.786 . . . . 0.0 104.856 168.086 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 58' ' ' ILE 0.257 1.3 t -130.06 134.74 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 108.549 -3.932 . . . . 0.0 104.052 -172.016 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 129.62 39.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 125.244 1.59 . . . . 0.0 108.606 172.4 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.16 145.1 16.02 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 168.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG11 ' HA ' ' A' ' 17' ' ' ALA . 90.6 t -97.63 120.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 178.32 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -110.66 137.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.001 -164.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.29 35.28 9.7 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-N 111.423 -2.626 . . . . 0.0 111.22 -173.407 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -150.59 -175.39 5.09 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.615 -1.792 . . . . 0.0 108.4 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -169.97 32.54 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.381 -2.19 . . . . 0.0 108.362 158.105 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -163.06 -59.42 0.04 OUTLIER 'General case' 0 C--N 1.351 0.666 0 CA-C-N 113.185 -1.825 . . . . 0.0 108.815 -172.393 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -87.55 127.8 35.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.96 -1.927 . . . . 0.0 109.411 -174.409 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HA ' HG11 ' A' ' 10' ' ' VAL . . . -98.81 -4.98 32.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.293 -1.776 . . . . 0.0 112.366 -176.267 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p 45.64 47.9 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.781 1.277 . . . . 0.0 112.021 -178.289 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.22 -105.87 3.24 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 112.15 -2.295 . . . . 0.0 109.06 -167.318 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 64.73 48.21 2.57 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 113.348 -1.426 . . . . 0.0 109.566 -175.345 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -140.8 -35.3 0.49 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 112.143 -2.299 . . . . 0.0 109.498 -174.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 113.69 -1.595 . . . . 0.0 107.42 162.591 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -7.15 48.34 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.702 -2.954 . . . . 0.0 111.431 179.27 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.19 83.81 1.5 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.166 -178.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -169.74 -52.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.154 174.495 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -81.78 -20.53 39.01 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 125.913 2.008 . . . . 0.0 110.54 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.73 -43.5 62.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.943 172.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -37.37 86.44 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.881 176.179 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -93.85 37.79 1.08 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.858 -1.973 . . . . 0.0 110.707 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.74 17.73 7.4 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.998 165.163 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.52 30.84 79.0 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-N 112.929 -1.941 . . . . 0.0 112.69 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -97.22 152.83 18.46 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 117.686 -1.605 . . . . 0.0 108.13 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -78.62 104.58 9.32 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.377 157.008 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.41 108.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 112.544 -2.116 . . . . 0.0 106.27 -174.432 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.4 t -101.01 110.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.373 -2.194 . . . . 0.0 107.921 -168.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.88 97.91 10.48 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 112.837 -1.983 . . . . 0.0 107.401 176.53 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.6 -35.23 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.061 -1.882 . . . . 0.0 110.681 -171.022 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.48 171.02 13.04 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.735 -1.575 . . . . 0.0 110.72 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -81.44 118.37 29.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 112.339 -1.93 . . . . 0.0 109.074 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.52 134.61 0.86 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 113.069 -1.878 . . . . 0.0 107.568 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.9 p -87.21 78.56 8.8 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.181 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 132.79 0.14 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.389 1.566 . . . . 0.0 112.979 171.25 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -50.8 -55.34 17.29 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.584 -3.007 . . . . 0.0 114.524 167.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -64.48 -17.95 64.32 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 118.879 -1.128 . . . . 0.0 111.905 -171.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -73.97 -43.73 57.17 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.441 173.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.3 -39.29 54.57 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.136 1.446 . . . . 0.0 113.107 -175.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.79 -33.49 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 109.96 -3.291 . . . . 0.0 112.809 161.489 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.47 -28.85 65.32 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.057 0.848 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.47 -28.72 63.09 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.684 1.24 . . . . 0.0 110.74 166.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.53 -30.23 66.92 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 116.048 -2.261 . . . . 0.0 113.044 167.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.86 -38.05 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.836 171.508 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.56 -50.39 14.01 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.868 -167.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' HG21 ' A' ' 5' ' ' THR . 22.4 p -99.86 -27.73 13.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 112.855 -1.975 . . . . 0.0 113.708 -172.607 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp 89.97 63.88 0.01 OUTLIER 'General case' 0 C--N 1.342 0.269 0 O-C-N 125.81 1.944 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.97 122.65 27.54 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 110.476 -3.056 . . . . 0.0 111.244 -171.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.09 -28.76 63.52 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 126.266 2.228 . . . . 0.0 110.222 173.668 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.2 144.68 36.71 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.14 177.112 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.562 ' HB ' HD22 ' A' ' 88' ' ' LEU . 32.6 mt -127.0 123.94 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 109.977 -3.283 . . . . 0.0 107.94 -175.29 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.9 t -115.17 114.86 25.84 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 112.667 -2.061 . . . . 0.0 110.443 -168.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.88 121.91 48.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.065 175.289 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 112.85 24.42 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 111.619 -2.537 . . . . 0.0 107.641 -175.719 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.447 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 55.8 m -100.63 154.78 18.3 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.987 -165.062 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD11 HG12 ' A' ' 10' ' ' VAL . 6.7 mp -93.35 -74.37 0.53 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 111.278 -2.692 . . . . 0.0 108.045 175.738 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 155.09 154.35 0.01 OUTLIER 'General case' 0 C--N 1.354 0.765 0 C-N-CA 126.941 2.096 . . . . 0.0 107.333 175.113 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -48.11 1.0 Allowed Glycine 0 C--N 1.349 1.299 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.53 -172.931 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -150.58 48.12 0.88 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 113.331 -1.434 . . . . 0.0 108.625 177.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -78.6 -45.39 9.61 Favored Glycine 0 C--N 1.349 1.302 0 C-N-CA 118.218 -1.944 . . . . 0.0 109.794 171.534 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -27.91 39.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 110.785 -2.707 . . . . 0.0 111.813 -177.859 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -82.33 -44.52 19.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.46 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.32 -36.18 54.17 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.265 -171.183 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 27.6 p -78.06 -26.36 48.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 114.225 -1.352 . . . . 0.0 113.927 -170.798 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.7 111.95 6.56 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.09 -164.502 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.52 40.18 8.52 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 113.884 -1.507 . . . . 0.0 110.621 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 11.8 tp -75.38 -25.84 58.0 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 111.033 -2.583 . . . . 0.0 110.459 158.003 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' HD12 ' A' ' 88' ' ' LEU . 3.4 tmm_? -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.884 173.847 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.357 9.1 tp10 -77.32 -26.17 51.89 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 171.191 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -76.01 -29.45 58.15 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 125.605 1.815 . . . . 0.0 112.79 166.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -77.38 -39.25 47.96 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 125.369 1.668 . . . . 0.0 111.322 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.97 -37.96 75.94 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 109.607 -3.451 . . . . 0.0 108.357 174.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.276 28.2 mm-40 -73.22 -29.81 63.05 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.343 -2.208 . . . . 0.0 112.528 176.67 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -1.16 18.53 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.147 -1.842 . . . . 0.0 112.829 178.668 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.99 43.45 13.94 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 124.23 0.956 . . . . 0.0 110.723 179.109 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.1 mt -146.37 63.23 1.22 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 111.9 -2.15 . . . . 0.0 107.904 -177.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 124.6 47.71 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.619 -2.082 . . . . 0.0 110.66 -176.535 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.5 -27.96 2.58 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 107.475 -2.25 . . . . 0.0 107.475 -175.852 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 88' ' ' LEU . 36.7 mt -66.6 124.86 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 110.538 -2.831 . . . . 0.0 111.376 168.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.8 mppt? -95.79 136.53 36.08 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 110.985 -2.825 . . . . 0.0 108.863 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' ILE . 2.1 mt -122.28 137.04 54.98 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.127 -1.851 . . . . 0.0 111.642 -169.461 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -110.04 138.32 46.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 109.357 -3.565 . . . . 0.0 108.942 -178.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 9.8 p -128.27 123.8 60.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.57 171.514 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.96 151.05 20.83 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.202 -168.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.78 -131.64 10.8 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 110.961 -2.619 . . . . 0.0 111.168 166.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -89.32 68.39 7.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 112.364 -1.918 . . . . 0.0 110.204 -165.282 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 pt -97.84 -60.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.811 -159.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 104' ' ' VAL . 13.8 p -131.82 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-O 125.419 2.533 . . . . 0.0 113.232 -163.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.19 171.18 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.161 1 CA-C-N 106.359 -4.928 . . . . 0.0 108.482 -165.701 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.73 -35.39 46.38 Favored Glycine 0 CA--C 1.542 1.747 0 CA-C-N 113.547 -1.66 . . . . 0.0 111.757 169.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.14 113.7 6.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.819 -1.69 . . . . 0.0 108.243 163.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 74.08 100.86 0.07 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 112.87 -1.968 . . . . 0.0 109.623 -169.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -125.61 130.72 52.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 113.988 -1.46 . . . . 0.0 108.328 173.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.602 3.7 m-90 21.21 -72.77 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.701 0 C-N-CA 130.981 3.713 . . . . 0.0 119.924 -178.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.08 -33.06 20.02 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 115.453 1.29 . . . . 0.0 115.453 171.771 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.15 -47.04 15.37 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.638 174.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 95' ' ' VAL . 58.1 t -65.73 -54.24 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.374 -171.094 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.36 -32.35 73.75 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.083 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.19 -50.04 75.57 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 117.468 -1.693 . . . . 0.0 111.829 173.876 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.95 -50.78 15.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.819 1.324 . . . . 0.0 112.658 -169.011 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.09 -38.44 90.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.57 -1.65 . . . . 0.0 109.584 -172.883 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -75.37 -28.5 59.54 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.557 -2.11 . . . . 0.0 112.656 174.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.2 70.17 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 123.948 0.78 . . . . 0.0 112.415 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -66.64 -55.09 16.82 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 117.779 -1.568 . . . . 0.0 109.753 170.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.5 20.04 0.1 OUTLIER Glycine 0 C--N 1.352 1.472 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.363 173.263 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.543 ' CZ ' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.21 146.25 30.58 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.24 -84.64 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 118.956 -1.098 . . . . 0.0 113.878 -164.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -145.18 155.98 43.6 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 121.619 0.723 . . . . 0.0 111.155 -167.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.78 128.72 75.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.814 -168.074 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.514 ' HB3' HG21 ' A' ' 121' ' ' THR . 7.7 m-85 -101.56 144.63 28.95 Favored Pre-proline 0 C--N 1.363 1.163 0 O-C-N 124.542 1.151 . . . . 0.0 113.135 168.833 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.22 176.89 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.071 2.514 . . . . 0.0 115.684 175.415 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.86 118.34 5.25 Favored 'Trans proline' 0 C--N 1.363 1.304 0 C-N-CA 121.543 1.495 . . . . 0.0 110.903 163.718 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.85 60.16 1.81 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.654 178.277 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.09 137.46 40.34 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.84 -1.68 . . . . 0.0 109.977 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.8 160.93 0.57 Allowed Pre-proline 0 CA--C 1.551 0.982 0 CA-C-N 112.398 -2.183 . . . . 0.0 110.883 159.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.04 -18.76 6.09 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 120.985 1.124 . . . . 0.0 112.862 173.252 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.72 67.44 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.27 -172.089 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -67.2 -36.37 81.57 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.027 178.648 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.69 -33.53 41.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 127.15 2.781 . . . . 0.0 109.599 -175.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 80.5 mt -75.46 -36.26 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 111.77 -2.468 . . . . 0.0 111.279 177.679 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.4 -30.87 63.55 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.956 170.144 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 1.1 t70 -58.97 -55.24 37.72 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.266 -2.243 . . . . 0.0 112.012 170.908 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 130' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -68.83 -28.8 67.06 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.127 0.892 . . . . 0.0 111.6 -178.02 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.31 -57.25 13.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.22 -34.74 59.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 112.874 -1.966 . . . . 0.0 114.777 -176.218 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.13 -47.09 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.18 -176.13 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.54 -16.83 60.22 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.732 1.27 . . . . 0.0 110.024 175.326 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.04 64.48 3.24 Favored Glycine 0 C--N 1.357 1.718 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.684 172.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.79 148.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 112.068 -2.066 . . . . 0.0 110.237 -163.245 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 112.852 -1.976 . . . . 0.0 110.139 179.505 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.66 -178.26 6.89 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.047 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.91 166.05 10.76 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.76 173.15 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -113.03 119.72 38.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 110.026 -3.261 . . . . 0.0 109.754 -169.451 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 55' ' ' ALA . 5.1 m -94.48 118.91 32.38 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 111.731 -2.486 . . . . 0.0 107.613 173.442 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -107.69 149.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.335 2.654 . . . . 0.0 105.058 163.189 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG13 HG21 ' A' ' 37' ' ' ILE 0.283 1.0 OUTLIER -130.3 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 CA-C-N 110.235 -3.166 . . . . 0.0 104.522 -171.93 . . . . . . . . 4 4 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 1.4 pt? -132.75 129.3 38.47 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 116.911 -1.916 . . . . 0.0 110.919 170.523 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.92 145.27 15.89 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 167.402 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.75 120.74 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.718 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.605 HG21 ' SG ' ' A' ' 71' ' ' CYS . 13.6 tt -108.8 117.88 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 112.422 -2.172 . . . . 0.0 109.661 -159.621 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.32 74.69 0.79 Allowed Glycine 0 C--N 1.349 1.277 0 CA-C-N 112.097 -2.32 . . . . 0.0 110.495 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -82.44 82.28 7.95 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.731 -1.734 . . . . 0.0 108.681 172.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.21 91.77 2.66 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.547 -2.569 . . . . 0.0 109.495 -177.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t 86.92 -54.87 0.05 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.485 -2.143 . . . . 0.0 110.784 -176.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -131.64 151.37 51.67 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 113.81 -1.541 . . . . 0.0 109.084 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -4.17 53.94 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.598 175.134 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t 53.04 52.37 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.933 0 O-C-N 124.917 1.386 . . . . 0.0 109.972 -177.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.1 -128.07 25.12 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 112.235 -2.257 . . . . 0.0 109.722 -169.055 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 60.83 17.07 7.37 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 112.892 -1.654 . . . . 0.0 113.086 172.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -93.48 -48.85 6.19 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.346 -170.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.39 79.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.58 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 166.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.12 45.12 2.54 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 111.804 -2.453 . . . . 0.0 107.568 175.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -96.37 57.11 1.64 Allowed 'General case' 0 C--N 1.352 0.714 0 CA-C-N 111.718 -2.492 . . . . 0.0 107.873 171.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -114.5 -47.97 2.89 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 111.983 -2.372 . . . . 0.0 108.292 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 m -75.84 146.53 39.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.799 168.936 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HB2' HG21 ' A' ' 34' ' ' VAL . 2.2 m-30 85.98 -41.05 0.04 OUTLIER 'General case' 0 C--N 1.351 0.669 0 CA-C-N 111.489 -2.596 . . . . 0.0 109.211 -178.907 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -26.62 67.69 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 112.378 -2.192 . . . . 0.0 109.747 162.195 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.61 -6.07 13.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.914 -2.403 . . . . 0.0 111.985 171.118 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.66 11.21 13.62 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 123.988 0.805 . . . . 0.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.36 74.7 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.438 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.56 161.32 27.96 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 116.234 -2.186 . . . . 0.0 109.594 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -79.22 103.9 9.47 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 114.722 -2.791 . . . . 0.0 104.437 154.65 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 27' ' ' PHE 0.303 0.3 OUTLIER -128.03 137.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 112.686 -2.052 . . . . 0.0 110.649 -178.99 . . . . . . . . 4 4 . 1 . 029 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.12 110.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 112.073 -2.331 . . . . 0.0 108.557 -162.069 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -85.84 123.32 31.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.536 1.16 . . . . 0.0 108.787 176.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.434 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -97.09 -35.63 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 111.313 -2.676 . . . . 0.0 111.071 -160.278 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.42 140.03 2.78 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.443 -176.52 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 130.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.092 -2.054 . . . . 0.0 106.56 159.503 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.27 89.62 0.1 Allowed 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.78 -175.288 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 157.03 24.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.265 -2.698 . . . . 0.0 107.738 -172.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.16 174.68 5.75 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.963 -1.926 . . . . 0.0 109.049 -179.727 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 3.4 mm100 -47.85 -43.16 28.0 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 112.644 -2.071 . . . . 0.0 112.583 -178.393 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.21 -22.35 65.86 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 124.866 1.354 . . . . 0.0 112.791 -173.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -83.04 -40.44 19.92 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.763 1.289 . . . . 0.0 112.043 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -76.47 -34.11 58.69 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 123.187 1.47 . . . . 0.0 112.005 -177.15 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.419 HG13 ' SG ' ' A' ' 78' ' ' CYS . 11.5 mt -49.75 -49.49 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 109.58 -3.464 . . . . 0.0 110.682 159.086 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -70.32 -28.88 65.52 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.651 1.22 . . . . 0.0 112.25 -169.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -28.8 61.35 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.527 1.142 . . . . 0.0 111.564 171.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -75.7 -30.42 59.3 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 116.661 -2.016 . . . . 0.0 112.536 171.669 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.9 -36.49 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.221 174.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.04 -50.49 12.99 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.89 -171.366 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 p -103.08 -20.14 14.29 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 125.736 1.898 . . . . 0.0 115.418 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 97.74 54.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 125.748 1.905 . . . . 0.0 111.303 165.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -80.99 123.1 28.07 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 112.432 -2.167 . . . . 0.0 112.581 -169.68 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -89.91 -14.96 33.08 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.679 -2.055 . . . . 0.0 109.138 167.211 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 134' ' ' LEU 0.253 2.3 pt? -139.95 144.75 37.22 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.193 1.949 . . . . 0.0 112.85 171.751 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 88' ' ' LEU . 77.0 mt -130.81 107.91 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 108.547 -3.933 . . . . 0.0 107.452 -176.551 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 51.8 t -104.82 114.47 28.7 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.605 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.3 m -106.42 148.25 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.992 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -107.65 128.84 54.91 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.497 164.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.7 m -100.61 118.24 36.37 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.363 1.665 . . . . 0.0 107.218 172.768 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt -77.72 -33.89 52.89 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 112.173 -2.285 . . . . 0.0 109.59 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.8 t80 94.77 154.44 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.144 171.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.32 -39.92 2.61 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 110.932 -2.849 . . . . 0.0 107.537 -155.424 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -151.21 49.17 0.84 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-N 113.26 -1.47 . . . . 0.0 109.877 174.582 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.03 -45.26 8.4 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 117.384 -2.341 . . . . 0.0 111.156 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -28.37 38.94 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 113.844 -1.178 . . . . 0.0 110.635 178.778 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.84 -44.18 76.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.946 -174.117 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.25 -56.11 4.84 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.551 177.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.605 ' SG ' HG21 ' A' ' 11' ' ' ILE . 68.0 m -66.89 -30.94 71.23 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.328 -1.306 . . . . 0.0 113.774 -164.0 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -57.53 114.01 2.05 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.303 1.002 . . . . 0.0 112.186 -174.429 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.21 58.39 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.759 177.425 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 tp -75.62 -26.51 57.87 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.794 0.938 . . . . 0.0 111.461 160.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.75 82.24 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.164 174.13 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.426 13.8 tp10 -77.67 -26.47 50.35 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 118.258 2.688 . . . . 0.0 118.258 178.728 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.306 44.1 tttp -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 125.349 1.655 . . . . 0.0 113.128 168.08 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HB2' HG21 ' A' ' 86' ' ' ILE . 91.3 m -77.38 -40.55 43.37 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 123.254 1.502 . . . . 0.0 111.519 175.526 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -63.73 -42.09 97.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 110.242 -3.163 . . . . 0.0 108.006 173.001 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.279 32.4 mt-10 -73.14 -29.7 63.06 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 112.143 -2.299 . . . . 0.0 112.674 -178.373 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.72 5.13 4.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.813 -177.6 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.86 42.74 8.04 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.908 172.055 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.65 -128.9 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 CA-C-N 112.37 -1.915 . . . . 0.0 106.188 173.689 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.253 0.9 OUTLIER -85.36 -170.61 3.21 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 123.655 1.693 . . . . 0.0 111.06 -172.909 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.07 56.59 2.14 Favored Glycine 0 N--CA 1.44 -1.1 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 150.038 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' A' ' 78' ' ' CYS 0.261 2.0 tt -63.64 127.17 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 109.649 -3.276 . . . . 0.0 110.184 -161.635 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' C ' HD23 ' A' ' 88' ' ' LEU . 62.6 mttp -87.75 116.78 26.14 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 109.579 -3.464 . . . . 0.0 106.572 -175.48 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 58' ' ' ILE . 3.2 mt -111.82 143.67 42.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 123.978 1.847 . . . . 0.0 108.804 -172.182 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -107.37 134.78 49.93 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 108.845 -3.798 . . . . 0.0 104.963 175.051 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.23 123.52 33.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 113.215 -1.811 . . . . 0.0 106.248 178.143 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.53 152.07 20.34 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.152 -163.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.47 -148.5 17.52 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 112.318 -1.941 . . . . 0.0 109.308 179.2 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.6 99.67 11.29 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 169.21 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.91 -18.8 6.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.047 -164.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.29 -156.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 161.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.3 t -56.84 144.12 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.971 -174.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.84 157.29 2.4 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 111.961 -2.382 . . . . 0.0 112.93 179.798 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 72.21 -159.09 0.11 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 112.549 -1.825 . . . . 0.0 108.963 -172.343 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 77.6 123.87 0.04 OUTLIER 'General case' 0 C--N 1.349 0.562 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.824 177.055 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -100.22 49.77 0.91 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.046 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 101' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER 43.85 56.25 12.73 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 111.725 -2.489 . . . . 0.0 117.633 -177.793 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -82.29 -52.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-O 122.755 1.065 . . . . 0.0 110.375 151.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.34 -38.46 30.49 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.845 -2.434 . . . . 0.0 112.324 -164.366 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.474 HG21 ' CZ3' ' A' ' 101' ' ' TRP . 46.8 t -78.09 -45.67 26.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 113.451 -1.704 . . . . 0.0 110.44 -157.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -74.27 -31.45 62.54 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.326 170.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.42 -43.52 68.04 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 117.735 -1.586 . . . . 0.0 112.003 172.372 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -50.07 12.77 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.125 -175.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -72.79 -43.38 62.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.222 -172.055 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -66.29 -28.65 68.86 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.233 175.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.59 -27.99 69.62 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 124.027 0.829 . . . . 0.0 112.854 173.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.24 -42.2 93.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.266 169.345 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.47 11.81 0.53 Allowed Glycine 0 CA--C 1.537 1.46 0 CA-C-N 112.775 -2.012 . . . . 0.0 112.616 171.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.14 140.78 58.9 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 122.456 1.122 . . . . 0.0 109.343 177.089 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.66 -60.96 2.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.837 -2.438 . . . . 0.0 110.035 -173.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -145.18 156.23 43.74 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.507 -1.678 . . . . 0.0 109.537 -174.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.7 t -123.04 128.62 75.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 112.937 -1.938 . . . . 0.0 110.026 176.193 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -89.31 145.91 35.01 Favored Pre-proline 0 C--N 1.357 0.91 0 O-C-N 124.775 1.297 . . . . 0.0 111.207 171.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -57.48 179.79 0.13 Allowed 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.78 2.32 . . . . 0.0 113.61 177.5 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -80.78 116.81 3.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 120.919 1.079 . . . . 0.0 110.15 168.364 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.64 69.44 1.39 Allowed Glycine 0 C--N 1.351 1.41 0 CA-C-N 113.32 -1.764 . . . . 0.0 111.407 179.714 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 137.48 40.35 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.255 -1.973 . . . . 0.0 111.105 -173.466 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.31 157.18 1.24 Allowed Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 112.307 -2.224 . . . . 0.0 110.92 161.777 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.08 -14.65 8.41 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 120.94 1.093 . . . . 0.0 113.175 173.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -29.94 66.48 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.42 -175.111 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.36 -36.99 80.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.134 177.863 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 m -79.47 -31.32 42.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 126.365 2.29 . . . . 0.0 109.607 -171.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.18 -42.85 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 O-C-N 126.742 2.526 . . . . 0.0 110.107 178.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.84 63.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.821 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 125' ' ' THR . 65.2 t0 -65.24 -49.74 68.48 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 126.36 2.287 . . . . 0.0 113.479 170.542 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -69.66 -28.95 66.32 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.374 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -70.86 -52.31 21.06 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.099 -177.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.09 -57.24 13.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 117.582 -1.647 . . . . 0.0 113.826 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.24 -30.33 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.236 -2.256 . . . . 0.0 114.278 -169.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 57' ' ' LEU . 49.6 mt -93.93 -12.12 29.5 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 124.07 0.856 . . . . 0.0 111.153 -177.778 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.23 80.22 1.36 Allowed Glycine 0 C--N 1.352 1.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.491 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -149.01 155.8 8.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 112.159 -2.021 . . . . 0.0 107.037 -175.101 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.541 0.631 0 CA-C-N 112.955 -1.929 . . . . 0.0 109.288 -178.568 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtt . . . . . 0 CA--C 1.54 0.566 0 CA-C-O 121.721 0.772 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -69.3 -39.87 78.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.593 -1.639 . . . . 0.0 109.334 172.375 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -105.86 165.33 11.26 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 111.34 -2.664 . . . . 0.0 107.579 171.711 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -92.04 109.92 21.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.824 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -79.94 137.74 36.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 111.02 -2.809 . . . . 0.0 107.214 172.701 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.82 149.06 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 CA-C-O 124.484 2.088 . . . . 0.0 105.52 168.267 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 37' ' ' ILE 0.352 3.9 t -130.52 116.58 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.207 1 CA-C-N 107.782 -4.281 . . . . 0.0 104.113 -175.739 . . . . . . . . 4 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.03 128.93 44.63 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 116.812 -1.955 . . . . 0.0 109.952 177.636 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -123.98 145.63 16.01 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 111.467 -2.606 . . . . 0.0 109.757 177.306 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 39' ' ' VAL . 2.8 p -97.89 120.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 125.181 1.166 . . . . 0.0 108.472 170.737 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -113.08 136.37 49.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 111.557 -2.565 . . . . 0.0 111.503 -160.704 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . 87.12 4.46 81.52 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 110.821 -2.899 . . . . 0.0 112.304 -179.692 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -109.72 17.53 21.16 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 112.938 -1.631 . . . . 0.0 112.476 -158.683 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 69.1 -120.84 0.14 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.623 1.202 . . . . 0.0 110.517 168.735 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -124.53 50.48 1.7 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.613 168.39 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.451 ' H ' HG21 ' A' ' 39' ' ' VAL . 69.8 m80 -143.13 104.51 4.3 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.872 -1.967 . . . . 0.0 108.571 -178.809 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 89.99 8.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.227 -177.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.57 -53.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 113.039 -1.891 . . . . 0.0 110.374 -175.496 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.87 -30.11 75.65 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 111.842 -2.436 . . . . 0.0 112.911 -175.329 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.06 -42.43 65.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 112.957 -1.622 . . . . 0.0 112.942 -177.449 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.489 1.118 . . . . 0.0 113.286 -171.723 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -72.38 -35.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 124.271 0.982 . . . . 0.0 108.718 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.1 mt -115.19 43.27 2.04 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 112.154 -2.293 . . . . 0.0 109.165 -173.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -157.69 82.62 0.88 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 112.925 -1.943 . . . . 0.0 108.243 174.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -58.7 -49.27 78.2 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 125.006 2.336 . . . . 0.0 108.042 159.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.549 ' HB2' ' H ' ' A' ' 29' ' ' ASN . 63.0 p 179.39 -66.52 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 106.399 -4.91 . . . . 0.0 102.868 -176.305 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 7.7 m-85 75.75 -58.03 0.56 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 126.569 2.418 . . . . 0.0 106.124 -168.87 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -44.94 11.37 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 112.303 165.408 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.549 ' H ' ' HB2' ' A' ' 26' ' ' SER . 30.6 t30 -105.63 12.51 31.07 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 125.066 1.479 . . . . 0.0 110.861 -175.621 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.9 3.36 34.28 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 117.873 -1.531 . . . . 0.0 110.005 153.189 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.49 80.65 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.363 -174.164 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.89 145.61 25.44 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.97 104.68 9.78 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 179.493 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 27' ' ' PHE . 80.8 t -127.26 140.59 48.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 124.872 1.357 . . . . 0.0 109.715 -166.398 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.4 t -132.92 110.91 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 110.812 -2.904 . . . . 0.0 106.772 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -85.84 114.17 22.56 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.556 179.175 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 7' ' ' VAL . 14.5 mt -68.95 -15.39 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.922 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.75 -173.58 45.48 Favored Glycine 0 C--N 1.357 1.708 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -176.137 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' A' ' 10' ' ' VAL . 3.0 p -80.95 118.98 29.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.139 169.112 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -162.35 145.88 11.69 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 110.674 -2.966 . . . . 0.0 108.198 172.227 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 4.7 m -109.03 59.55 0.6 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 111.717 -2.492 . . . . 0.0 109.205 -174.079 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.87 123.51 3.66 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 112.655 -2.066 . . . . 0.0 110.999 -177.598 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.15 -28.75 3.12 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 111.609 -2.542 . . . . 0.0 113.334 163.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.083 0.864 . . . . 0.0 113.191 -171.592 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -84.08 -27.94 27.9 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.519 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.19 -33.63 59.29 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.783 1.278 . . . . 0.0 113.099 179.843 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.79 -48.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 111.012 -2.813 . . . . 0.0 110.23 158.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -72.89 -29.14 62.93 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.186 1.554 . . . . 0.0 113.262 -164.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.22 -28.66 61.36 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.603 170.05 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.22 65.37 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 116.621 -2.031 . . . . 0.0 112.98 167.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -67.09 -40.99 86.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.81 173.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.96 -50.27 15.39 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.924 -167.695 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 p -102.19 -27.76 12.69 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 125.685 1.866 . . . . 0.0 114.511 -172.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 86.54 72.74 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.218 0 O-C-N 125.982 2.051 . . . . 0.0 109.546 177.176 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 133.51 55.2 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 109.92 -3.309 . . . . 0.0 110.222 176.498 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.99 -28.5 19.07 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.316 -1.766 . . . . 0.0 108.407 163.092 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 2.6 pt? -140.6 145.02 36.13 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.879 173.382 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 45.5 mt -121.48 127.96 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 112.522 -2.126 . . . . 0.0 107.592 173.442 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.1 114.89 25.92 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.168 -175.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.41 121.95 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 112.244 -2.253 . . . . 0.0 107.85 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -110.41 112.81 24.99 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.833 -174.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -135.12 164.44 27.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 124.604 2.145 . . . . 0.0 113.1 -172.619 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.98 -6.57 12.55 Favored 'General case' 0 N--CA 1.444 -0.773 1 CA-C-N 107.901 -4.227 . . . . 0.0 110.322 -168.08 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.4 t80 71.5 31.16 2.33 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.257 -156.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.88 -49.67 46.81 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.671 -2.513 . . . . 0.0 108.12 161.848 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -164.27 58.85 0.15 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-N 111.293 -2.454 . . . . 0.0 107.565 177.251 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.23 -45.6 8.75 Favored Glycine 0 C--N 1.353 1.51 0 C-N-CA 116.781 -2.628 . . . . 0.0 110.914 -174.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.29 -33.71 37.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.624 -0.788 . . . . 0.0 110.806 173.744 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.79 -44.52 45.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 113.538 -1.664 . . . . 0.0 110.576 -163.248 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -77.74 -56.29 4.64 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.417 1.073 . . . . 0.0 112.296 168.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' HG21 ' A' ' 11' ' ' ILE . 7.5 m -72.68 -25.95 61.44 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 118.468 -1.293 . . . . 0.0 113.397 -154.727 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.53 113.57 3.78 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.126 -1.03 . . . . 0.0 110.231 178.328 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.66 33.77 37.13 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.148 -176.084 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.36 -25.79 58.01 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 125.29 1.229 . . . . 0.0 109.481 152.158 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -53.65 -57.04 12.21 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 124.652 1.22 . . . . 0.0 109.907 167.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.463 11.1 pt-20 -77.27 -25.67 51.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.323 70.7 mmtt -76.16 -29.41 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 125.09 1.494 . . . . 0.0 113.756 168.641 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.9 t -76.19 -42.81 45.15 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.811 1.767 . . . . 0.0 109.47 174.197 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.253 5.5 m-20 -72.31 -27.85 62.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 109.766 -3.379 . . . . 0.0 111.8 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.291 17.3 mm-40 -73.52 -32.98 64.53 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.624 -2.08 . . . . 0.0 112.293 169.84 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 5.96 3.77 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.905 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.71 34.91 33.46 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.813 175.531 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.613 ' HB3' HD13 ' A' ' 86' ' ' ILE . 23.2 mt -136.77 59.01 1.71 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.059 -2.07 . . . . 0.0 107.287 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -94.06 112.4 24.22 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.034 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.31 -23.24 1.09 Allowed Glycine 0 C--N 1.343 0.971 0 CA-C-N 111.131 -2.758 . . . . 0.0 108.333 -166.856 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -69.76 124.75 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 112.309 -1.945 . . . . 0.0 109.451 167.362 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.34 135.85 33.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.581 -3.009 . . . . 0.0 107.352 160.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.544 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 23.6 mt -110.0 134.03 52.56 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.9 1.333 . . . . 0.0 111.181 -178.048 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -107.72 136.21 47.84 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.066 -2.788 . . . . 0.0 105.726 166.122 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.12 123.55 34.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.691 -1.595 . . . . 0.0 107.254 177.946 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.6 144.78 16.81 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.376 -172.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.47 -148.62 19.03 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.571 -1.814 . . . . 0.0 110.013 179.12 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -92.73 74.8 4.98 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.384 -1.908 . . . . 0.0 106.486 165.227 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.8 pt -73.81 -15.77 16.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.381 -2.191 . . . . 0.0 112.207 -165.489 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 96' ' ' VAL . 9.5 p -133.63 -170.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 173.048 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.576 ' H ' HG22 ' A' ' 95' ' ' VAL . 11.3 p -64.99 97.66 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 111.454 -2.612 . . . . 0.0 110.636 -172.012 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.23 -106.08 1.32 Allowed Glycine 0 C--N 1.357 1.725 0 CA-C-N 111.716 -2.493 . . . . 0.0 109.155 -161.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.18 128.18 17.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.875 -2.162 . . . . 0.0 106.759 158.565 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -72.58 -3.16 23.03 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.708 -2.042 . . . . 0.0 111.852 178.045 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.4 m120 74.74 108.1 0.07 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.872 2.069 . . . . 0.0 110.318 178.01 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.402 2.5 m-90 5.31 -70.09 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.781 0 N-CA-C 119.603 3.186 . . . . 0.0 119.603 179.149 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.56 -33.09 29.67 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 115.667 1.372 . . . . 0.0 115.667 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.2 -45.97 17.13 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 112.981 -1.918 . . . . 0.0 112.374 175.466 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.66 -51.98 45.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 O-C-N 124.584 1.177 . . . . 0.0 110.659 -171.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.51 -38.54 87.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 113.415 -1.721 . . . . 0.0 112.056 175.513 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.45 -38.58 87.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 118.423 -1.311 . . . . 0.0 112.365 175.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -74.57 -53.24 9.79 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.455 -170.477 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -75.12 -45.87 38.17 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.214 -172.33 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.84 -28.8 64.87 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.059 -174.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.534 1.146 . . . . 0.0 111.387 173.76 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.3 ptm -79.55 1.63 25.18 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.565 1.166 . . . . 0.0 113.091 177.146 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 138.49 -25.14 2.87 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 124.307 1.004 . . . . 0.0 114.144 159.708 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -52.52 143.62 15.22 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 122.582 1.182 . . . . 0.0 112.362 -170.109 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.67 -61.98 1.56 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 112.035 -2.348 . . . . 0.0 109.054 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -145.37 156.21 43.64 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.731 1.269 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.6 t -107.28 113.96 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 111.376 -2.647 . . . . 0.0 109.05 176.335 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -97.84 147.16 32.66 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 113.211 -1.813 . . . . 0.0 109.776 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.59 179.05 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 121.823 1.682 . . . . 0.0 114.336 176.944 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -86.3 124.27 2.39 Favored 'Trans proline' 0 C--N 1.362 1.239 0 C-N-CA 122.218 1.945 . . . . 0.0 108.937 160.225 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.25 42.9 7.74 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 113.45 -1.704 . . . . 0.0 111.416 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 137.37 41.42 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 112.793 -1.704 . . . . 0.0 108.992 171.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.39 128.81 83.2 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.624 159.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -77.92 -10.37 16.76 Favored 'Trans proline' 0 C--N 1.355 0.897 0 N-CA-C 114.938 1.092 . . . . 0.0 114.938 -178.047 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.274 0.984 . . . . 0.0 110.357 176.89 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -61.15 -33.51 73.53 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.873 -1.512 . . . . 0.0 113.021 173.003 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.27 -32.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 125.37 1.669 . . . . 0.0 108.708 -172.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.0 -40.44 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.826 -177.038 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.03 63.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.298 -1.773 . . . . 0.0 110.988 171.68 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.272 10.4 t70 -74.25 -28.93 61.46 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 117.294 -1.763 . . . . 0.0 113.537 175.764 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 14.1 ptp -77.94 -29.0 49.7 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.393 174.022 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -57.03 9.65 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.463 -1.295 . . . . 0.0 108.856 173.214 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -49.73 -43.47 47.82 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 113.021 -1.9 . . . . 0.0 114.952 177.047 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.81 -39.68 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.978 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.26 27.46 5.15 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.17 0.919 . . . . 0.0 111.814 -169.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.02 54.02 7.4 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.473 172.564 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.73 159.12 4.68 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 112.83 -1.685 . . . . 0.0 106.999 -176.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 CA--C 1.549 0.93 0 O-C-N 124.771 1.295 . . . . 0.0 111.176 175.362 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -91.75 109.99 21.32 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.823 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 10.5 m -99.71 130.64 45.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 111.638 -2.528 . . . . 0.0 107.079 166.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -106.54 144.29 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 164.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.332 2.5 t -130.27 116.36 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 CA-C-N 110.553 -3.021 . . . . 0.0 103.786 -176.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 129.07 55.31 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 118.331 -1.347 . . . . 0.0 108.614 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.552 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.13 145.71 16.0 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.323 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.19 120.67 46.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.864 -1.935 . . . . 0.0 105.88 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -96.8 129.18 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 110.787 -2.915 . . . . 0.0 108.589 -158.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.223 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.404 178.264 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 C--O 1.219 -0.504 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -63.57 -43.32 97.37 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 125.106 1.504 . . . . 0.0 111.93 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -75.36 -36.9 60.89 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.724 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.99 84.97 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.868 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -67.56 -20.45 65.4 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 111.886 -2.416 . . . . 0.0 112.604 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 6.13 16.81 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.737 0.648 . . . . 0.0 110.856 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 17.73 76.27 Favored Glycine 0 C--N 1.353 1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.007 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -96.01 151.15 19.7 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 117.511 -1.676 . . . . 0.0 108.012 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.98 109.76 12.32 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 164.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.69 109.04 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.79 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.93 114.08 27.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 111.186 -2.734 . . . . 0.0 107.451 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -85.87 103.55 14.71 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.514 -1.676 . . . . 0.0 107.223 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 7' ' ' VAL . 27.0 mt -68.96 -24.64 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 111.938 -2.392 . . . . 0.0 110.437 -173.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.53 149.66 8.97 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.784 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.7 t -80.95 131.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 113.734 -1.233 . . . . 0.0 107.712 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp 64.41 106.75 0.03 OUTLIER 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.61 1.819 . . . . 0.0 108.774 -161.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -162.44 141.93 9.4 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.465 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.645 -2.071 . . . . 0.0 109.046 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.598 ' HB3' HD13 ' A' ' 74' ' ' LEU . 18.1 mt-30 -63.43 -28.5 70.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 113.416 -1.72 . . . . 0.0 114.631 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.99 -14.69 63.17 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 117.614 -1.634 . . . . 0.0 112.162 173.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -84.1 -29.57 26.67 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 124.187 0.93 . . . . 0.0 111.575 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -75.86 -43.23 46.68 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 123.513 1.625 . . . . 0.0 111.089 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.83 -39.66 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 109.579 -3.464 . . . . 0.0 111.205 162.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.81 -33.65 68.69 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.437 1.086 . . . . 0.0 111.641 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.951 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.66 -28.99 68.18 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 116.75 -1.595 . . . . 0.0 110.809 169.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -76.48 -30.61 57.35 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.7 -1.2 . . . . 0.0 113.448 174.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.07 -37.46 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.032 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -73.91 -50.91 17.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.958 -173.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 2.4 t -87.39 -45.07 10.88 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.658 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 53' ' ' THR . 53.1 mtpt 90.6 78.45 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.881 -159.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.37 133.94 51.52 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 112.337 -2.21 . . . . 0.0 108.867 175.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.34 -28.01 19.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.967 0.792 . . . . 0.0 110.112 161.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 134' ' ' LEU 0.269 2.4 pt? -140.5 145.08 36.4 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.397 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 88' ' ' LEU . 52.6 mt -132.07 115.93 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.345 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.79 141.16 31.13 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 111.333 -2.667 . . . . 0.0 110.166 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 46' ' ' PHE . 3.0 m -115.57 141.53 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.685 166.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.27 112.98 23.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.3 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -104.35 125.79 50.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 113.972 -1.467 . . . . 0.0 108.044 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.353 0.738 0 O-C-N 124.582 1.176 . . . . 0.0 110.047 -176.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.804 0 CA-C-O 121.808 0.671 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.8 -30.98 66.1 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.406 -1.897 . . . . 0.0 111.751 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.51 -44.45 98.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.864 -165.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -77.65 -52.05 9.63 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.544 1.152 . . . . 0.0 112.101 164.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.6 p -66.66 -27.61 67.8 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -149.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.87 114.85 1.17 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 125.192 1.557 . . . . 0.0 112.528 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.29 36.19 18.29 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 112.215 -2.266 . . . . 0.0 112.346 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 43' ' ' GLN . 27.7 tp -75.47 -25.9 57.77 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.02 1.071 . . . . 0.0 111.777 156.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -66.26 -41.25 90.19 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 117.184 -1.806 . . . . 0.0 108.391 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.431 2.4 tm-20 -77.45 -26.19 51.26 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 174.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.33 17.2 ttpp -76.0 -28.82 57.94 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.024 1.453 . . . . 0.0 112.997 167.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 58' ' ' ILE . 86.9 m -77.1 -38.04 53.11 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 125.275 1.61 . . . . 0.0 110.163 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.97 -45.04 91.51 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 110.492 -3.049 . . . . 0.0 110.017 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.349 1.6 pt-20 -73.28 -29.91 63.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 109.583 -3.462 . . . . 0.0 113.039 -178.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -0.43 16.07 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 112.784 -2.007 . . . . 0.0 112.801 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.99 41.95 21.22 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 122.678 1.154 . . . . 0.0 110.307 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 50' ' ' ALA . 18.4 mt -145.17 48.3 1.29 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.234 -2.483 . . . . 0.0 107.342 -174.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.16 125.47 35.95 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.402 -2.181 . . . . 0.0 109.687 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.33 -29.9 2.57 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.6 mp -67.46 124.68 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 111.685 -2.257 . . . . 0.0 111.102 173.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.408 ' C ' HD23 ' A' ' 88' ' ' LEU . 49.5 mtmt -98.14 135.53 39.66 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 109.017 -3.72 . . . . 0.0 108.325 170.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.0 mt -110.02 148.29 31.95 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.278 1.513 . . . . 0.0 110.948 -172.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -107.69 145.43 33.42 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 109.924 -3.307 . . . . 0.0 106.851 168.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.12 123.71 34.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 113.122 -1.854 . . . . 0.0 107.353 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.15 22.27 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.657 -1.611 . . . . 0.0 111.5 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 113.06 -141.32 16.85 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 112.235 -1.983 . . . . 0.0 110.733 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -82.57 71.93 9.64 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.952 -1.624 . . . . 0.0 108.302 171.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -68.71 -35.78 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-N 110.254 -3.157 . . . . 0.0 111.254 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.346 0.423 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 171.063 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.334 1.6 m-90 . . . . . 0 CA--C 1.544 0.741 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.85 -40.5 84.79 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 120.278 1.135 . . . . 0.0 114.764 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -80.05 -36.67 35.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.635 -2.075 . . . . 0.0 111.949 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -76.25 -44.94 36.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.974 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.62 -27.91 61.53 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 114.049 -1.432 . . . . 0.0 111.155 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.26 -34.51 75.28 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 118.938 -1.105 . . . . 0.0 111.195 168.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -53.09 24.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -72.71 -45.63 57.75 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.906 -1.952 . . . . 0.0 112.088 -167.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.65 -28.83 68.05 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.25 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.38 84.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.257 0.973 . . . . 0.0 111.726 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 82.8 mmm -74.06 -35.98 64.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.583 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.12 -17.05 3.19 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 113.817 -1.538 . . . . 0.0 112.99 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -60.39 115.73 3.77 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.032 0.92 . . . . 0.0 109.598 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.99 -38.97 63.98 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 112.253 -2.248 . . . . 0.0 111.498 -165.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -133.83 139.13 46.06 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.195 -1.82 . . . . 0.0 109.484 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.3 t -123.22 113.8 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.313 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -90.77 142.45 27.74 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.829 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -63.66 -177.11 0.38 Allowed 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.08 1.854 . . . . 0.0 113.738 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.49 122.77 2.45 Favored 'Trans proline' 0 C--N 1.362 1.246 0 C-N-CA 121.866 1.711 . . . . 0.0 110.493 167.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.28 55.91 2.8 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.874 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.1 137.37 37.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.143 -2.028 . . . . 0.0 108.902 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -54.62 141.28 55.95 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 113.205 -1.816 . . . . 0.0 109.157 162.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.25 -9.82 17.67 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 122.686 0.835 . . . . 0.0 112.548 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.92 71.16 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.361 1.038 . . . . 0.0 111.275 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -71.14 -37.24 72.27 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.209 176.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 m -79.5 -32.11 42.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 126.38 2.3 . . . . 0.0 109.296 -170.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.21 -41.99 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 126.415 2.322 . . . . 0.0 110.135 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.99 63.82 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.129 -1.851 . . . . 0.0 110.523 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.2 t0 -63.91 -55.05 25.53 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.335 171.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.9 ptp -65.19 -29.34 70.15 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.85 -57.07 6.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 118.709 -1.197 . . . . 0.0 109.88 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.43 -35.18 69.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.901 -1.5 . . . . 0.0 114.545 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.29 -42.75 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.919 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.587 HD11 HD22 ' A' ' 57' ' ' LEU . 27.8 mt -99.79 23.91 9.07 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.322 1.013 . . . . 0.0 112.024 -166.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.67 52.64 6.37 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.223 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -148.68 160.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 112.726 -1.737 . . . . 0.0 106.743 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.548 0.901 0 O-C-N 124.719 1.262 . . . . 0.0 111.232 174.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.495 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -104.09 109.77 21.69 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 123.087 1.423 . . . . 0.0 109.449 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -90.74 129.51 36.82 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 109.986 -3.279 . . . . 0.0 106.369 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.47 HG12 HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -127.83 137.9 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 C-N-CA 126.676 1.99 . . . . 0.0 106.017 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 37' ' ' ILE 0.299 16.7 t -130.26 116.57 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.902 0 CA-C-N 109.223 -3.626 . . . . 0.0 104.931 -170.739 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -126.38 128.49 47.12 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 117.426 -1.71 . . . . 0.0 110.908 -176.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.48 146.15 16.1 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 110.474 -3.057 . . . . 0.0 112.273 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 t -97.35 120.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 C-N-CA 116.984 -1.886 . . . . 0.0 106.245 160.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -96.43 144.17 10.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 111.807 -2.451 . . . . 0.0 107.714 -165.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.061 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 -163.311 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m170 . . . . . 0 N--CA 1.451 -0.402 0 CA-C-O 120.38 0.133 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -55.91 -41.5 74.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.976 1.423 . . . . 0.0 113.631 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.05 -39.07 61.2 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.238 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -31.15 72.25 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.506 -2.133 . . . . 0.0 110.423 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -80.06 -20.7 44.62 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 112.005 -2.361 . . . . 0.0 112.075 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 2.33 49.0 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.948 0.78 . . . . 0.0 110.524 -168.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.32 77.05 Favored Glycine 0 C--N 1.355 1.599 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.837 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -85.04 157.11 20.83 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.206 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -80.99 104.84 11.77 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 116.123 -2.231 . . . . 0.0 106.318 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 6' ' ' ILE . 12.0 t -127.23 115.93 42.42 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 124.969 1.418 . . . . 0.0 111.988 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.97 110.8 22.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 111.294 -2.684 . . . . 0.0 106.677 159.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -93.43 105.18 17.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.421 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 7' ' ' VAL . 2.6 mt -68.87 -31.26 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.239 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.16 -163.29 50.5 Favored Glycine 0 C--N 1.356 1.64 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.023 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.92 170.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 112.783 -1.709 . . . . 0.0 108.959 174.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? 60.78 73.57 0.48 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -174.41 160.71 3.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 111.162 -2.745 . . . . 0.0 108.062 -167.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 m -153.14 173.41 15.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.916 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -52.31 -28.93 21.07 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -164.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.93 -39.04 73.75 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 124.878 1.361 . . . . 0.0 112.106 173.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.39 -33.33 58.87 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.173 -1.831 . . . . 0.0 112.414 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.584 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.24 -35.22 59.09 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 123.508 1.623 . . . . 0.0 112.67 -177.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -49.94 -45.32 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-N 110.153 -3.203 . . . . 0.0 111.169 159.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -75.04 -28.96 60.65 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.764 1.29 . . . . 0.0 112.789 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 7' ' ' VAL . . . -74.19 -28.5 61.31 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.01 0.819 . . . . 0.0 110.536 168.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.27 65.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 117.289 -1.765 . . . . 0.0 113.101 165.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.46 -41.81 86.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.665 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -75.24 -50.31 16.54 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.805 -168.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -101.64 -24.91 14.04 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 125.725 1.891 . . . . 0.0 114.851 -172.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttp 87.18 71.35 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.819 1.949 . . . . 0.0 109.776 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.05 135.67 57.7 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 109.8 -3.364 . . . . 0.0 111.034 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.28 -28.56 18.7 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.3 -1.773 . . . . 0.0 108.858 159.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.267 2.6 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.964 1.364 . . . . 0.0 112.617 176.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.52 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 28.2 mt -125.75 131.03 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.388 -2.642 . . . . 0.0 107.785 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.85 139.85 46.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.379 -2.192 . . . . 0.0 109.684 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.05 121.79 34.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 111.752 -2.476 . . . . 0.0 106.824 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 t -115.04 127.96 55.96 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 113.901 -1.5 . . . . 0.0 108.675 -173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -127.69 137.02 52.36 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.801 -1.999 . . . . 0.0 109.984 -163.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--N 1.357 0.892 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.245 -160.285 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.49 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -79.85 -29.89 40.22 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.754 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.1 mt -91.36 -45.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.355 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.43 -56.71 4.23 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 118.289 -1.364 . . . . 0.0 113.526 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -78.39 -25.83 46.29 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 112.291 -2.231 . . . . 0.0 112.713 -156.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.12 124.5 21.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.619 -169.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.21 25.85 46.53 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 112.582 -2.099 . . . . 0.0 111.826 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' A' ' 43' ' ' GLN . 16.9 tp -75.6 -25.8 57.3 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.414 0.714 . . . . 0.0 112.187 162.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 -64.82 -42.7 94.77 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 116.041 -2.264 . . . . 0.0 109.102 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.345 30.1 mt-10 -77.6 -26.57 50.77 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 118.341 2.719 . . . . 0.0 118.341 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.287 75.3 mttt -76.49 -29.26 56.76 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 125.959 2.037 . . . . 0.0 113.337 165.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.5 t -77.14 -33.48 56.66 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 123.201 1.477 . . . . 0.0 110.84 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -65.24 -42.81 92.98 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 110.749 -2.932 . . . . 0.0 109.21 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.304 1.6 pt-20 -73.0 -29.87 63.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 109.83 -3.35 . . . . 0.0 111.938 -176.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.15 11.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.079 -2.328 . . . . 0.0 112.737 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 37.2 39.1 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB3' HD13 ' A' ' 86' ' ' ILE . 64.1 mt -142.24 48.72 1.56 Allowed 'General case' 0 C--N 1.347 0.46 0 CA-C-N 111.739 -2.231 . . . . 0.0 108.485 -171.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 113.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.917 171.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.54 -27.58 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 111.753 -2.476 . . . . 0.0 108.433 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.91 124.92 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 111.839 -2.18 . . . . 0.0 109.948 167.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -87.85 134.02 33.78 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 110.648 -2.978 . . . . 0.0 107.67 162.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.52 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 17.5 mt -109.96 133.6 53.01 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.647 1.213 . . . . 0.0 111.132 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 110.762 -2.926 . . . . 0.0 106.18 171.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.477 HG21 ' SG ' ' A' ' 71' ' ' CYS . 12.4 p -136.11 123.65 34.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.16 152.16 20.29 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.501 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.38 -154.27 18.5 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 111.498 -2.351 . . . . 0.0 109.699 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -83.59 91.91 7.54 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 112.435 -1.883 . . . . 0.0 108.421 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 pt -93.73 -11.53 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 112.489 -2.142 . . . . 0.0 112.097 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.7 t . . . . . 0 C--N 1.346 0.451 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.3 m-90 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.25 -42.45 67.36 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 CA-C-N 120.831 1.333 . . . . 0.0 115.2 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.09 -38.34 31.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.672 -2.058 . . . . 0.0 112.102 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.72 -41.31 70.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.915 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -74.03 -31.95 63.13 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.225 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -58.83 -39.39 81.08 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.636 1.21 . . . . 0.0 111.005 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -76.62 -44.56 33.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.424 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.01 -42.9 56.47 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.571 1.17 . . . . 0.0 111.28 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -69.4 -28.99 66.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.023 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.95 61.62 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.447 1.092 . . . . 0.0 111.072 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -39.47 83.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.743 173.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.43 -48.57 0.26 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 113.493 -1.685 . . . . 0.0 112.033 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -48.75 141.4 7.37 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 125.126 1.133 . . . . 0.0 113.136 -160.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.04 -51.71 36.11 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.319 -2.219 . . . . 0.0 109.463 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -145.21 141.24 28.49 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.666 -2.061 . . . . 0.0 110.081 -169.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.31 113.91 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 112.634 -2.075 . . . . 0.0 109.729 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.48 143.4 28.08 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.671 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -54.53 176.19 0.12 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.097 2.531 . . . . 0.0 115.553 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.27 112.2 2.75 Favored 'Trans proline' 0 C--N 1.363 1.29 0 N-CA-C 108.983 -1.199 . . . . 0.0 108.983 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.89 74.58 0.78 Allowed Glycine 0 C--N 1.351 1.416 0 CA-C-N 112.984 -1.917 . . . . 0.0 111.063 -173.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.49 137.85 33.11 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.445 -1.878 . . . . 0.0 109.683 -178.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.45 157.13 1.82 Allowed Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.028 159.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -83.08 -15.47 7.93 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.154 1.236 . . . . 0.0 114.065 173.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.4 -29.88 67.72 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.625 1.203 . . . . 0.0 110.885 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -68.29 -39.04 82.21 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 113.467 -1.697 . . . . 0.0 112.47 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m -79.44 -37.65 36.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.318 2.261 . . . . 0.0 108.603 -168.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.8 mt -72.88 -40.91 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 111.632 -2.531 . . . . 0.0 110.499 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.84 63.72 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.984 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -70.42 -37.78 74.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 116.599 -2.04 . . . . 0.0 113.314 173.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 10.5 ptp -72.91 -28.9 62.73 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.41 1.005 . . . . 0.0 111.958 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.95 -54.6 31.94 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.427 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -70.68 -47.79 58.09 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.027 -1.897 . . . . 0.0 114.413 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.69 -38.17 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.461 1.101 . . . . 0.0 112.245 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -79.7 -13.5 59.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.523 1.139 . . . . 0.0 111.349 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.56 81.48 0.57 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.56 157.86 16.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-N 112.607 -1.797 . . . . 0.0 107.685 -170.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 112.461 -2.154 . . . . 0.0 110.243 -176.034 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -78.86 109.72 13.39 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 118.073 -1.451 . . . . 0.0 108.864 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -99.9 116.97 33.2 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 110.669 -2.969 . . . . 0.0 106.504 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.92 135.09 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 CA-C-N 112.714 -2.039 . . . . 0.0 105.655 166.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 37' ' ' ILE 0.298 1.3 t -130.13 116.86 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 109.163 -3.653 . . . . 0.0 103.62 -164.292 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.05 129.25 39.78 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.462 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.67 145.94 16.19 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 110.945 -2.843 . . . . 0.0 108.878 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.39 120.56 46.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 172.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.82 117.74 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.071 -170.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.163 0 CA-C-N 111.156 -2.747 . . . . 0.0 111.581 178.479 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 . . . . . 0 C--O 1.221 -0.426 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -69.32 -34.6 74.9 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 125.248 1.592 . . . . 0.0 111.77 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -79.02 -35.76 42.21 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.307 -1.77 . . . . 0.0 110.139 -174.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -38.99 79.03 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.221 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -62.21 -20.54 64.29 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.034 -2.348 . . . . 0.0 112.958 170.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 7.0 33.04 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 121.39 0.614 . . . . 0.0 110.058 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.52 18.72 78.85 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.712 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.65 157.17 19.17 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 116.975 -1.89 . . . . 0.0 108.933 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.92 104.73 8.66 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 162.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.56 129.24 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.932 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 53' ' ' THR . 0.0 OUTLIER -133.08 113.39 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 110.667 -2.969 . . . . 0.0 106.989 -168.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -85.75 102.93 14.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.293 -2.231 . . . . 0.0 106.863 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 pp -71.1 -28.47 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 111.007 -2.815 . . . . 0.0 110.523 -169.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.17 159.85 10.05 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.303 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.96 117.77 31.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.313 -1.943 . . . . 0.0 107.381 171.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 174.67 148.88 0.08 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.716 -2.038 . . . . 0.0 107.389 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -91.21 106.94 18.87 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.256 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t 178.17 117.54 0.04 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.82 166.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -48.01 -55.06 10.97 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.239 -1.8 . . . . 0.0 113.344 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.53 -17.81 60.63 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 124.253 0.97 . . . . 0.0 112.414 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.13 -37.54 33.34 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.896 0.747 . . . . 0.0 111.564 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -40.97 50.08 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 123.191 1.472 . . . . 0.0 111.616 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.71 -38.65 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 109.753 -3.385 . . . . 0.0 112.085 160.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -68.16 -28.76 67.57 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.146 0.904 . . . . 0.0 111.064 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.18 61.28 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 124.605 1.19 . . . . 0.0 113.262 168.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.74 -30.53 69.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 117.339 -1.744 . . . . 0.0 114.643 162.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.58 -40.36 71.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.705 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.05 -50.43 13.12 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 113.909 -1.496 . . . . 0.0 109.134 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.433 HG21 HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -104.33 -11.36 17.2 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 110.523 -3.035 . . . . 0.0 112.709 -162.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 79.45 61.74 0.02 OUTLIER 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.033 1.458 . . . . 0.0 110.842 164.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 140.04 57.18 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.255 -2.248 . . . . 0.0 112.068 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.63 -31.15 16.76 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.472 150.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 134' ' ' LEU 0.255 2.6 pt? -140.46 144.88 36.32 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 123.111 1.434 . . . . 0.0 112.301 -177.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 7' ' ' VAL . 23.1 mt -125.31 130.02 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 110.528 -3.033 . . . . 0.0 108.088 176.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.3 m -115.03 141.08 48.49 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 111.75 -2.477 . . . . 0.0 108.709 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.15 121.75 47.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 111.836 -2.438 . . . . 0.0 106.698 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 112.4 24.54 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 63' ' ' LEU . 92.4 p -103.83 124.75 49.5 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.714 -1.584 . . . . 0.0 108.512 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 62' ' ' SER . 3.4 mm? . . . . . 0 CA--C 1.54 0.569 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.106 -174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.6 -44.47 42.86 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.56 -1.32 . . . . 0.0 109.765 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -44.77 32.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 CA-C-N 111.212 -2.722 . . . . 0.0 110.717 -167.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.72 -51.93 9.77 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.713 -2.039 . . . . 0.0 112.863 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.18 -44.42 53.52 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.534 1.147 . . . . 0.0 112.257 -166.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -75.29 135.39 40.92 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 118.891 -1.123 . . . . 0.0 110.831 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 17.75 64.08 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 112.166 -2.288 . . . . 0.0 111.599 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -75.52 -25.78 57.51 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.954 1.032 . . . . 0.0 111.002 157.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.42 -46.87 86.61 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.873 171.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.442 28.5 mm-40 -77.38 -26.27 51.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 2.2 mmmp? -76.24 -29.56 57.56 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 125.427 1.704 . . . . 0.0 113.228 166.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 t -77.36 -32.12 54.82 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.38 1.562 . . . . 0.0 111.55 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.08 -44.26 80.52 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 110.481 -3.054 . . . . 0.0 109.52 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.1 -29.66 63.08 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 109.304 -3.589 . . . . 0.0 112.233 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.78 -0.08 14.67 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.641 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 38.98 34.33 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -142.14 35.54 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 111.787 -2.207 . . . . 0.0 109.711 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.9 122.07 24.32 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.758 -1.565 . . . . 0.0 110.142 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.16 -33.35 1.24 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD21 ' A' ' 88' ' ' LEU . 1.3 mp -65.05 124.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 111.367 -2.417 . . . . 0.0 111.562 171.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -95.78 142.82 27.61 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 109.317 -3.583 . . . . 0.0 108.822 171.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.488 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.1 mt -116.71 140.28 49.6 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 124.008 1.861 . . . . 0.0 112.188 -165.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 109.569 -3.469 . . . . 0.0 106.804 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.04 123.56 34.67 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-N 113.629 -1.623 . . . . 0.0 106.636 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.02 149.6 16.92 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 113.792 -1.549 . . . . 0.0 113.562 -166.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.42 -131.49 10.74 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 111.626 -2.287 . . . . 0.0 110.759 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -92.78 76.97 4.87 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.048 -1.076 . . . . 0.0 109.059 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.23 -11.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-N 113.023 -1.899 . . . . 0.0 112.215 -172.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 HG13 ' A' ' 104' ' ' VAL . 25.5 t . . . . . 0 C--N 1.356 0.868 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 168.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.326 1.2 m-90 . . . . . 0 CA--C 1.56 1.361 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.19 -52.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 122.423 1.901 . . . . 0.0 112.955 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.42 -29.93 37.66 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.324 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 95' ' ' VAL . 61.5 t -74.22 -36.44 43.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.117 -1.856 . . . . 0.0 110.79 -167.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.09 -46.2 44.43 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.345 172.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -49.85 -43.96 49.36 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.442 1.089 . . . . 0.0 112.431 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.63 -53.18 9.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.521 -172.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -75.14 -45.47 40.68 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.863 -170.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -60.23 -44.94 94.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.898 -1.955 . . . . 0.0 111.729 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.55 72.56 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.77 1.294 . . . . 0.0 112.172 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 33.8 mmt -75.96 -25.19 55.65 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.797 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.29 -6.38 0.23 Allowed Glycine 0 C--N 1.359 1.841 0 C-N-CA 117.936 -2.078 . . . . 0.0 115.507 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -74.38 138.38 43.36 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 118.511 -1.276 . . . . 0.0 110.049 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.59 -62.68 1.7 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-N 112.459 -2.155 . . . . 0.0 109.438 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -145.17 156.06 43.65 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.428 1.705 . . . . 0.0 109.746 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.8 113.94 45.63 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 111.41 -2.632 . . . . 0.0 107.257 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 121' ' ' THR . 32.5 m-85 -76.98 142.43 69.1 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.164 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -54.91 -179.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.282 2.655 . . . . 0.0 113.797 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -83.58 114.92 2.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 N-CA-C 109.377 -1.047 . . . . 0.0 109.377 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.88 71.67 1.11 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.193 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.05 137.67 40.02 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.154 -2.023 . . . . 0.0 110.692 -174.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.45 151.61 0.57 Allowed Pre-proline 0 CA--C 1.552 1.022 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.25 157.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.12 -10.02 10.36 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 121.31 1.34 . . . . 0.0 113.262 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.98 -29.77 66.94 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 124.342 1.026 . . . . 0.0 111.135 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -32.97 68.6 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 125.277 1.61 . . . . 0.0 112.399 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.5 m -79.64 -36.39 37.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 126.324 2.265 . . . . 0.0 108.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.4 mt -75.13 -37.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 111.925 -2.398 . . . . 0.0 110.087 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.9 64.13 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.302 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.19 -55.46 24.89 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 116.132 -2.227 . . . . 0.0 112.387 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 7.7 ptp -71.12 -28.94 64.66 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.693 0.621 . . . . 0.0 112.111 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -70.68 -57.33 4.8 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 117.419 -1.712 . . . . 0.0 109.484 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.96 -35.2 74.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.726 -170.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -78.73 -33.95 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.264 -1.335 . . . . 0.0 112.33 -174.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.413 HD11 HD22 ' A' ' 57' ' ' LEU . 45.6 mt -88.85 -3.66 58.69 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 124.237 0.961 . . . . 0.0 111.661 -175.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.34 63.78 1.18 Allowed Glycine 0 C--N 1.355 1.602 0 O-C-N 124.213 0.946 . . . . 0.0 110.912 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.01 157.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.178 -2.011 . . . . 0.0 107.318 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 113.85 -1.523 . . . . 0.0 109.13 174.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -113.01 119.02 36.46 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.817 -1.992 . . . . 0.0 107.128 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.8 m -90.57 126.57 35.98 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.307 -2.679 . . . . 0.0 106.75 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.445 HG22 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -120.96 148.94 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 0 C-N-CA 127.312 2.245 . . . . 0.0 105.449 171.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.14 138.02 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 1 CA-C-N 107.893 -4.23 . . . . 0.0 103.971 -170.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.49 129.84 39.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 117.423 -1.711 . . . . 0.0 108.187 167.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.21 145.02 15.98 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.394 166.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.67 124.61 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 111.632 -2.284 . . . . 0.0 105.205 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.52 122.57 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 112.92 -1.946 . . . . 0.0 107.639 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.065 0 CA-C-N 110.347 -3.115 . . . . 0.0 110.859 175.097 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 . . . . . 0 CA--C 1.536 0.436 0 CA-C-O 121.095 0.474 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 -29.63 61.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.569 -1.65 . . . . 0.0 112.6 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -66.08 -41.71 90.34 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.265 0.978 . . . . 0.0 109.086 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.12 79.48 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 112.88 -1.964 . . . . 0.0 111.219 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -67.33 -20.71 65.63 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.07 -1.877 . . . . 0.0 112.933 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.46 7.68 18.97 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.991 0.807 . . . . 0.0 110.997 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.47 22.49 77.78 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.674 -170.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -86.16 151.89 23.29 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -177.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -78.26 104.4 8.82 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 6' ' ' ILE . 13.6 t -127.57 117.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.699 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.9 110.96 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 111.302 -2.681 . . . . 0.0 106.752 158.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -85.88 97.67 10.35 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.65 19.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.142 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.46 -164.97 54.36 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.509 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.95 117.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 CA-C-N 113.144 -1.528 . . . . 0.0 109.0 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.07 83.74 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.898 -1.956 . . . . 0.0 107.991 -175.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 87.68 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.69 -1.596 . . . . 0.0 110.456 173.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -117.35 -147.67 0.41 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.072 -1.877 . . . . 0.0 107.678 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.67 ' CB ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -47.95 -50.89 25.71 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 124.315 1.01 . . . . 0.0 112.99 -176.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -52.28 -35.87 51.31 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.75 1.281 . . . . 0.0 113.348 -167.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -83.96 -31.55 25.5 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.918 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -38.11 56.28 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.079 1.419 . . . . 0.0 113.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.5 mt -49.64 -38.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 110.304 -3.135 . . . . 0.0 111.319 159.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -68.86 -28.83 67.06 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.479 1.112 . . . . 0.0 111.425 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.54 63.66 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 124.277 0.986 . . . . 0.0 110.362 167.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.23 68.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 115.865 -2.334 . . . . 0.0 113.911 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.19 -39.77 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.758 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.06 -50.32 13.35 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.11 -1.404 . . . . 0.0 112.973 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.501 ' HB ' HG21 ' A' ' 5' ' ' THR . 21.3 p -97.43 -29.21 13.63 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 125.338 1.649 . . . . 0.0 113.342 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 91.86 58.84 0.0 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 126.24 2.213 . . . . 0.0 109.326 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.39 122.97 22.93 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 109.97 -3.286 . . . . 0.0 110.68 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.48 -22.95 56.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.768 1.918 . . . . 0.0 110.5 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 57' ' ' LEU . 2.4 pt? -140.49 144.61 36.1 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 123.015 1.388 . . . . 0.0 111.783 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.539 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 62.8 mt -121.29 124.59 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 110.329 -3.123 . . . . 0.0 106.44 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.11 114.66 25.62 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.107 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.8 121.66 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.989 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.51 143.16 31.01 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.797 -2.456 . . . . 0.0 107.354 173.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -131.51 121.05 23.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.11 1.506 . . . . 0.0 109.124 -174.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.351 0.665 0 CA-C-N 111.945 -2.389 . . . . 0.0 110.634 -169.596 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.781 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -61.91 -27.79 69.06 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.075 -1.062 . . . . 0.0 110.927 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -89.11 -44.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.932 -1.94 . . . . 0.0 111.546 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.91 -56.14 4.74 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 122.917 1.341 . . . . 0.0 112.698 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.421 ' SG ' HG21 ' A' ' 90' ' ' VAL . 32.3 m -63.79 -25.95 68.41 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 110.658 -2.974 . . . . 0.0 112.255 -162.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -71.06 111.59 6.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.524 -1.671 . . . . 0.0 107.9 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 18.5 80.15 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 112.521 -2.127 . . . . 0.0 114.829 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 43' ' ' GLN . 21.8 tp -75.7 -25.84 57.02 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 117.562 0.681 . . . . 0.0 111.881 153.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -62.74 -45.12 94.21 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 118.62 -1.232 . . . . 0.0 110.924 165.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.43 2.1 pt-20 -77.28 -25.98 51.93 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 117.576 2.435 . . . . 0.0 117.576 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 64.9 mmtt -76.5 -29.73 56.92 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 125.684 1.865 . . . . 0.0 113.403 166.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.2 p -77.25 -32.64 55.84 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.337 1.541 . . . . 0.0 111.579 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -78.05 -33.14 51.14 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 110.522 -3.035 . . . . 0.0 111.234 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.342 22.0 mm-40 -73.38 -29.63 62.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.114 -2.312 . . . . 0.0 112.855 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.71 3.13 6.85 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.423 -1.717 . . . . 0.0 112.612 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.01 34.44 47.33 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB3' HD13 ' A' ' 86' ' ' ILE . 62.3 mt -137.88 61.26 1.6 Allowed 'General case' 0 C--N 1.348 0.505 0 CA-C-N 111.813 -2.193 . . . . 0.0 108.173 -172.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 123.01 33.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 112.757 -2.02 . . . . 0.0 108.754 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -25.0 2.52 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -64.95 124.72 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 111.78 -2.21 . . . . 0.0 111.123 173.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -93.7 150.06 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 108.551 -3.931 . . . . 0.0 107.842 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.539 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 73.4 mt -130.86 127.68 39.07 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 113.253 -1.794 . . . . 0.0 109.768 -168.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -107.82 143.12 36.83 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.817 -2.447 . . . . 0.0 106.911 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' SG ' ' A' ' 71' ' ' CYS . 14.1 p -136.29 123.66 33.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 O-C-N 124.053 0.846 . . . . 0.0 110.223 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.11 137.93 13.83 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.631 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 94' ' ' ILE . . . 138.81 -153.31 22.6 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 113.07 -1.565 . . . . 0.0 110.562 171.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -81.5 -33.63 31.76 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.143 -1.529 . . . . 0.0 110.317 170.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.414 HG23 ' C ' ' A' ' 92' ' ' GLY 0.266 5.2 pt 53.35 16.23 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 130.766 3.626 . . . . 0.0 113.344 170.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t . . . . . 0 C--N 1.351 0.648 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.476 -172.679 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.635 1.3 m-90 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 -35.15 71.23 Favored 'Trans proline' 0 CA--C 1.55 1.311 0 CA-C-N 120.975 1.384 . . . . 0.0 114.919 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.31 -39.32 28.97 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.278 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.59 -40.4 71.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.266 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.07 -29.83 62.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.838 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -64.52 -36.78 85.32 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.358 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.4 -53.05 9.34 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.188 0.93 . . . . 0.0 111.032 -173.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.46 -53.32 36.75 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.153 -1.84 . . . . 0.0 110.725 -172.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.94 -28.77 67.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.267 -2.242 . . . . 0.0 112.633 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.22 91.27 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.07 0.856 . . . . 0.0 112.479 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -71.67 -18.42 62.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.437 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 137.02 -10.81 3.9 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.905 1.378 . . . . 0.0 113.865 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.05 136.8 18.36 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 121.614 0.721 . . . . 0.0 111.445 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.44 -63.13 1.41 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.152 -168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -145.24 156.1 43.64 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.215 1.572 . . . . 0.0 110.841 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -117.6 113.95 44.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 111.427 -2.624 . . . . 0.0 108.847 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.28 137.96 24.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.77 177.68 0.13 Allowed 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.825 2.35 . . . . 0.0 115.655 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -80.84 115.27 3.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 N-CA-C 109.114 -1.148 . . . . 0.0 109.114 167.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.44 60.21 3.57 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.104 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.62 137.59 37.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.542 -1.829 . . . . 0.0 108.787 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.55 152.54 12.13 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.882 162.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.6 -20.27 8.14 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 120.662 0.908 . . . . 0.0 113.545 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -29.97 70.73 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.843 -1.526 . . . . 0.0 110.461 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.4 m -65.86 -40.15 91.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.885 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -79.3 -38.63 34.87 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 125.594 1.808 . . . . 0.0 109.719 -164.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.12 -44.06 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 110.607 -2.997 . . . . 0.0 109.794 -173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.96 63.49 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.051 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' THR 0.269 11.3 t70 -71.42 -28.78 64.23 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.778 168.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.489 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -65.17 -43.26 92.28 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 121.416 0.626 . . . . 0.0 110.991 177.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.39 -55.08 17.52 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.243 -1.799 . . . . 0.0 109.114 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -53.4 -34.2 56.82 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.903 -1.953 . . . . 0.0 114.669 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.4 -47.02 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.483 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' ' 130' ' ' MET . 94.0 mt -90.47 17.06 7.8 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.291 0.994 . . . . 0.0 112.318 -172.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.73 57.72 4.82 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.761 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -147.75 159.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 112.395 -1.903 . . . . 0.0 106.853 -174.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 CA--C 1.545 0.762 0 O-C-N 125.34 1.65 . . . . 0.0 110.982 -179.362 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 121.951 0.882 . . . . 0.0 108.749 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -107.41 109.88 21.71 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.266 -2.243 . . . . 0.0 107.137 167.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 53' ' ' THR . 30.6 m -89.76 131.02 35.93 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.057 173.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -110.14 122.95 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 CA-C-N 110.216 -3.175 . . . . 0.0 103.817 163.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.292 0.9 OUTLIER -100.05 141.03 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.867 0 CA-C-N 109.587 -3.46 . . . . 0.0 103.275 176.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -132.22 128.97 39.07 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 116.433 -2.107 . . . . 0.0 106.744 163.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -123.92 145.63 16.02 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 112.223 -2.262 . . . . 0.0 109.157 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.418 ' CG1' HD21 ' A' ' 63' ' ' LEU . 74.3 t -97.72 120.98 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 170.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.61 144.04 11.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 CA-C-N 112.688 -2.051 . . . . 0.0 108.779 -164.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.076 0 CA-C-N 110.19 -3.186 . . . . 0.0 105.844 -150.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.6 m80 . . . . . 0 CA--C 1.535 0.377 0 CA-C-O 121.632 0.73 . . . . 0.0 111.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -76.59 -26.76 55.37 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.953 -1.931 . . . . 0.0 111.945 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.85 -41.77 95.44 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.157 0.911 . . . . 0.0 110.588 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -37.67 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.215 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.3 -20.62 66.15 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 111.891 -2.413 . . . . 0.0 112.562 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.42 12.59 22.21 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.105 0.878 . . . . 0.0 110.17 -165.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.85 20.94 79.75 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.357 -1.747 . . . . 0.0 111.948 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.75 157.78 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 117.393 -1.723 . . . . 0.0 107.916 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -77.77 111.85 14.0 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 103.227 -2.879 . . . . 0.0 103.227 164.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.0 110.13 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 125.271 1.607 . . . . 0.0 108.926 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.81 110.6 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 110.761 -2.927 . . . . 0.0 105.103 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -96.67 97.87 9.71 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.402 -1.727 . . . . 0.0 107.033 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -36.94 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.179 -2.282 . . . . 0.0 109.22 -171.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -163.59 54.87 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 114.139 -1.392 . . . . 0.0 112.969 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.9 167.45 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 111.748 -2.226 . . . . 0.0 109.032 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 91.38 39.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.567 1.947 . . . . 0.0 110.164 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p 175.92 157.18 0.23 Allowed 'General case' 0 C--N 1.348 0.508 0 CA-C-N 112.675 -2.057 . . . . 0.0 108.395 -165.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -124.85 -172.38 2.56 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.307 -1.769 . . . . 0.0 109.967 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.694 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -58.29 -30.04 66.32 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -68.1 -29.03 67.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 124.57 1.168 . . . . 0.0 111.893 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.37 -33.58 58.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.342 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -76.46 -34.43 58.69 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 123.282 1.515 . . . . 0.0 112.905 -176.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.78 -42.0 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 109.739 -3.391 . . . . 0.0 111.217 160.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -71.15 -28.83 64.55 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.703 1.252 . . . . 0.0 111.748 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 53' ' ' THR . . . -71.51 -28.66 64.05 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 116.801 -1.571 . . . . 0.0 111.705 166.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.45 62.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 118.798 -1.161 . . . . 0.0 113.327 169.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.07 -36.67 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -73.12 -50.77 20.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.554 -1.657 . . . . 0.0 111.76 -171.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -90.66 -36.77 14.18 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 110.632 -2.985 . . . . 0.0 112.383 -167.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 83.09 79.66 0.03 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 111.536 -2.574 . . . . 0.0 109.671 -166.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.75 139.71 55.33 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.285 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -31.69 16.76 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.667 155.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pt? -140.5 145.04 36.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.156 1.455 . . . . 0.0 112.678 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 51.9 mt -124.92 127.36 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 110.492 -3.049 . . . . 0.0 106.401 177.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.26 141.09 46.39 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 113.336 -1.757 . . . . 0.0 109.687 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.56 121.49 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 111.626 -2.534 . . . . 0.0 105.689 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -115.18 114.83 25.78 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 124.979 1.425 . . . . 0.0 108.987 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.88 144.87 29.31 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.696 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' CG1' ' A' ' 10' ' ' VAL . 94.9 mt . . . . . 0 C--N 1.348 0.516 0 CA-C-N 111.7 -2.5 . . . . 0.0 110.914 -163.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.486 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -49.78 74.13 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.979 -2.11 . . . . 0.0 109.367 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.22 -45.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 111.902 -2.408 . . . . 0.0 112.022 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.36 -56.73 4.22 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -27.64 46.35 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 113.334 -1.757 . . . . 0.0 114.034 -154.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -71.55 123.31 22.17 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.606 1.191 . . . . 0.0 110.74 -167.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.08 27.79 24.94 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-N 113.376 -1.738 . . . . 0.0 111.971 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 43' ' ' GLN . 20.3 tp -75.33 -25.41 57.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 125.64 1.435 . . . . 0.0 110.411 154.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.84 -46.97 86.45 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 117.604 -1.638 . . . . 0.0 109.567 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.365 18.4 mp0 -77.41 -26.25 51.52 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.279 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -76.15 -29.34 57.73 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.747 1.904 . . . . 0.0 113.265 168.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.24 -35.03 55.74 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 123.364 1.554 . . . . 0.0 110.655 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.81 -42.81 97.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 110.235 -3.166 . . . . 0.0 109.613 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.315 0.1 OUTLIER -73.12 -29.93 63.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 110.188 -3.187 . . . . 0.0 111.841 -177.433 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 1.49 10.42 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 112.165 -2.288 . . . . 0.0 112.562 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.93 37.83 37.54 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.0 mt -143.84 48.4 1.41 Allowed 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.642 -2.279 . . . . 0.0 108.646 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.19 114.83 24.15 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.457 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 152.57 -28.11 0.85 Allowed Glycine 0 C--N 1.344 1.027 0 CA-C-N 111.94 -2.391 . . . . 0.0 108.291 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.435 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.83 124.89 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 111.583 -2.308 . . . . 0.0 109.837 167.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -87.87 144.4 26.6 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 110.853 -2.885 . . . . 0.0 108.604 159.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 29.8 mt -118.26 135.17 54.43 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.323 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -107.86 151.2 26.08 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 111.302 -2.681 . . . . 0.0 107.518 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.25 123.89 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 113.067 -1.878 . . . . 0.0 108.316 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.11 18.21 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 114.164 -1.38 . . . . 0.0 113.187 -166.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.49 -141.16 20.28 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 112.339 -1.931 . . . . 0.0 111.529 170.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -81.83 88.29 6.33 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 112.631 -1.784 . . . . 0.0 107.902 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -27.56 10.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.769 1.293 . . . . 0.0 110.641 -176.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.1 p . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 159.62 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.49 ' HB3' HG23 ' A' ' 104' ' ' VAL . 10.0 p90 . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.954 1.465 . . . . 0.0 114.954 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.35 -21.56 5.3 Favored 'Trans proline' 0 CA--C 1.557 1.645 0 C-N-CA 121.487 1.458 . . . . 0.0 112.769 125.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.14 -52.37 7.85 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.023 -163.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 101' ' ' TRP . 48.0 t -69.41 -37.72 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.131 -1.849 . . . . 0.0 110.764 -169.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.35 -47.73 82.94 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.844 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -57.09 -35.01 68.89 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.527 1.142 . . . . 0.0 112.111 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -76.45 -52.16 10.38 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.166 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.66 -44.01 83.03 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.513 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -73.94 -28.98 61.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.442 -2.617 . . . . 0.0 111.937 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.05 74.79 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.492 1.12 . . . . 0.0 111.352 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mmt -74.7 -32.93 62.32 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.9 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.61 -50.64 0.11 Allowed Glycine 0 C--N 1.355 1.616 0 C-N-CA 117.374 -2.346 . . . . 0.0 113.384 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -48.84 146.35 3.29 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.394 -1.403 . . . . 0.0 113.774 -165.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.89 -62.94 1.42 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 111.619 -2.537 . . . . 0.0 109.805 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -145.26 156.18 43.68 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.337 -172.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.03 125.82 72.74 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.845 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -96.04 116.96 66.53 Favored Pre-proline 0 C--N 1.357 0.913 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.599 166.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.76 172.51 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 121.137 1.225 . . . . 0.0 114.513 167.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.86 118.49 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 120.861 1.041 . . . . 0.0 110.691 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.25 7.16 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.389 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 m -86.98 137.19 32.56 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.353 1.073 . . . . 0.0 109.288 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -58.17 167.2 1.7 Allowed Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.221 169.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.17 -15.81 7.62 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 120.994 1.129 . . . . 0.0 114.195 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -72.71 -29.67 63.56 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.035 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -66.76 -33.36 75.46 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.169 -1.832 . . . . 0.0 112.27 173.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.34 -33.11 43.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 126.507 2.379 . . . . 0.0 108.542 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.0 mt -75.17 -39.35 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 111.807 -2.451 . . . . 0.0 110.518 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.04 63.94 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.458 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 40.3 t0 -63.26 -55.39 25.27 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 116.568 -2.053 . . . . 0.0 112.47 172.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptp -67.49 -34.83 77.95 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.015 0.822 . . . . 0.0 111.786 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.97 -55.79 12.97 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.024 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.56 -37.1 84.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.4 p -78.65 -36.05 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.574 1.171 . . . . 0.0 112.453 -171.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.0 mt -85.4 -15.88 41.65 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.424 1.077 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.0 83.59 0.88 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.31 3.56 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 112.256 -1.972 . . . . 0.0 112.633 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 112.171 -2.286 . . . . 0.0 109.409 -177.223 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -116.88 109.92 17.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 108.431 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -89.97 134.25 34.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 111.145 -2.752 . . . . 0.0 107.755 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.49 139.5 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 C-N-CA 127.464 2.306 . . . . 0.0 105.05 173.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.68 HG13 HG21 ' A' ' 37' ' ' ILE 0.262 1.0 OUTLIER -117.45 134.97 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-N 108.949 -3.75 . . . . 0.0 104.945 -177.169 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.6 128.56 37.42 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 116.604 -2.038 . . . . 0.0 107.243 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.52 146.13 16.09 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 112.743 -2.026 . . . . 0.0 110.926 172.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.11 120.37 46.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 116.069 -2.253 . . . . 0.0 106.192 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -104.64 136.42 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 110.225 -3.17 . . . . 0.0 108.712 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.399 0 CA-C-N 111.664 -2.516 . . . . 0.0 109.512 -169.107 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 121.527 0.68 . . . . 0.0 112.192 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.308 -2.224 . . . . 0.0 112.039 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.4 m-30 -70.91 -33.41 70.51 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -36.98 78.81 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.196 -1.82 . . . . 0.0 109.395 176.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.44 -20.59 64.65 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.017 -1.902 . . . . 0.0 112.825 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.23 2.67 56.19 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 123.877 0.736 . . . . 0.0 110.019 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.77 19.93 79.75 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.635 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.56 142.99 27.43 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.337 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.98 104.46 8.56 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.8 t -127.09 132.93 69.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.929 -165.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.65 115.57 25.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 111.683 -2.508 . . . . 0.0 107.799 -162.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.98 97.93 10.53 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.324 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.68 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -75.04 -25.77 18.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.383 -2.189 . . . . 0.0 111.807 -169.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.42 139.46 2.98 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 113.987 -1.46 . . . . 0.0 109.969 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.77 127.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 168.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.05 101.98 0.05 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.227 -160.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -164.21 177.03 8.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.915 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 m -158.94 172.28 18.5 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.11 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -48.08 -28.79 3.07 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 112.79 -2.004 . . . . 0.0 115.84 -161.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.12 -36.55 82.16 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.943 0.777 . . . . 0.0 111.843 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.95 -41.38 78.11 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 113.677 -1.601 . . . . 0.0 112.078 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 1.3 m-85 -76.23 -33.48 59.22 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-O 122.388 1.089 . . . . 0.0 113.439 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.86 -49.43 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 110.904 -2.862 . . . . 0.0 110.234 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.337 1.648 . . . . 0.0 111.919 -166.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.89 61.42 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 124.991 1.432 . . . . 0.0 110.287 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.36 64.33 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 116.791 -1.964 . . . . 0.0 112.963 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.05 -41.66 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.918 171.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -50.51 13.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.965 -167.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -97.95 -25.7 14.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 125.664 1.853 . . . . 0.0 113.4 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 97.89 62.3 0.0 OUTLIER 'General case' 0 C--N 1.343 0.321 0 O-C-N 126.334 2.271 . . . . 0.0 110.547 164.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.97 125.92 20.58 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 111.866 -2.424 . . . . 0.0 111.951 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.17 -28.96 18.57 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 112.139 -2.301 . . . . 0.0 108.181 157.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pt? -140.53 145.07 36.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.322 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 42.8 mt -126.19 123.15 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.275 -2.693 . . . . 0.0 106.793 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.64 140.06 47.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.777 -2.011 . . . . 0.0 108.526 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 121.97 63.11 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 111.659 -2.519 . . . . 0.0 107.344 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.5 112.59 24.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.405 -2.18 . . . . 0.0 105.77 174.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -135.25 109.85 8.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.261 -2.245 . . . . 0.0 106.997 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.347 0.478 0 CA-C-N 113.061 -1.881 . . . . 0.0 111.466 -142.49 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.358 0 CA-C-O 122.039 0.799 . . . . 0.0 112.606 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.16 -34.8 37.31 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 112.509 -1.846 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.93 -44.2 92.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.748 -2.024 . . . . 0.0 110.887 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.33 -41.97 38.45 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.597 1.186 . . . . 0.0 113.376 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.74 -44.12 51.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.971 -165.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.54 133.69 55.47 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.97 1.419 . . . . 0.0 111.801 -172.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.21 12.09 71.27 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 112.505 -2.134 . . . . 0.0 112.765 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.4 -25.64 57.75 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.428 0.722 . . . . 0.0 110.266 154.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -54.07 -57.27 11.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.579 1.175 . . . . 0.0 109.814 168.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.471 7.3 tp10 -77.48 -25.9 50.83 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 93.0 mttt -76.28 -29.41 57.4 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.033 1.458 . . . . 0.0 113.605 168.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.61 -42.66 51.19 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 123.999 1.857 . . . . 0.0 109.788 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.264 14.1 m-20 -73.59 -26.9 61.02 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 109.245 -3.616 . . . . 0.0 111.658 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.318 25.7 mm-40 -73.67 -33.62 64.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 113.201 -1.818 . . . . 0.0 113.561 167.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.86 6.38 3.34 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.326 -1.761 . . . . 0.0 113.144 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.08 33.32 36.69 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.71 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB3' HD13 ' A' ' 86' ' ' ILE . 42.1 mt -135.86 62.62 1.62 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-N 112.227 -1.987 . . . . 0.0 107.202 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 115.94 28.19 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.675 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.27 -24.4 1.72 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.487 -171.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -64.92 124.73 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 111.632 -2.284 . . . . 0.0 109.004 166.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 136.42 33.14 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 110.601 -3.0 . . . . 0.0 107.805 161.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.564 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -110.35 134.61 52.13 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.966 1.365 . . . . 0.0 111.12 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.89 142.91 37.25 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 110.412 -3.086 . . . . 0.0 108.735 166.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.33 123.73 33.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 112.509 -2.132 . . . . 0.0 108.052 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.95 151.99 23.85 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.397 -172.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.61 -147.35 18.27 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.135 -2.032 . . . . 0.0 109.205 176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -77.92 87.93 4.11 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 123.053 1.406 . . . . 0.0 107.942 166.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.51 -34.22 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 110.462 -3.063 . . . . 0.0 111.938 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.2 t . . . . . 0 C--N 1.352 0.683 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -175.859 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.58 3.0 m-90 . . . . . 0 CA--C 1.538 0.497 0 N-CA-C 118.11 2.633 . . . . 0.0 118.11 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.08 -35.23 25.44 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 N-CA-C 115.581 1.339 . . . . 0.0 115.581 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.25 -48.51 12.96 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.45 -1.705 . . . . 0.0 111.957 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.97 -59.14 4.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.453 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.57 -27.75 66.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.921 -2.399 . . . . 0.0 111.884 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.06 -40.77 64.23 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 118.467 -1.293 . . . . 0.0 112.023 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -75.31 -53.06 9.39 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.507 1.13 . . . . 0.0 111.886 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -64.61 -48.31 75.38 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.88 -173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -68.92 -28.55 66.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.406 -2.179 . . . . 0.0 112.076 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.15 70.83 Favored 'General case' 0 C--N 1.357 0.935 0 O-C-N 124.002 0.814 . . . . 0.0 112.023 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.5 mmt -67.9 -46.89 70.34 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.362 1.039 . . . . 0.0 109.709 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.63 -2.27 0.77 Allowed Glycine 0 C--N 1.353 1.517 0 CA-C-N 113.183 -1.826 . . . . 0.0 113.024 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -52.12 146.24 9.22 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-O 121.945 0.878 . . . . 0.0 111.34 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.86 -74.78 0.12 Allowed 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.428 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -145.02 156.33 43.87 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 124.21 0.944 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.85 138.76 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.623 -174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -104.94 147.34 34.32 Favored Pre-proline 0 C--N 1.36 1.06 0 O-C-N 124.873 1.358 . . . . 0.0 111.621 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -63.89 -179.93 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 121.978 1.786 . . . . 0.0 113.326 171.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.92 121.9 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.565 1.51 . . . . 0.0 110.501 166.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.5 63.57 1.84 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.398 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.44 40.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.406 -2.397 . . . . 0.0 108.886 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -49.97 157.2 1.13 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.697 163.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.422 ' O ' HG13 ' A' ' 127' ' ' ILE . 74.4 Cg_endo -76.77 -31.84 3.83 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 O-C-N 122.701 0.842 . . . . 0.0 110.591 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -30.71 51.88 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.183 1.552 . . . . 0.0 113.56 -170.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.01 -38.61 79.35 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.093 -178.181 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.4 m -79.55 -31.34 41.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 O-C-N 126.796 2.56 . . . . 0.0 110.112 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -75.4 -40.78 42.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 113.016 -1.902 . . . . 0.0 110.682 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.95 64.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.907 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 28.8 t0 -61.73 -55.51 29.48 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 115.751 -2.379 . . . . 0.0 113.396 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.3 ptp -73.06 -28.9 62.58 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -69.91 -53.07 19.61 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 125.124 1.515 . . . . 0.0 109.194 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.001 -1.454 . . . . 0.0 114.085 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.84 -47.06 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.738 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.9 mt -90.17 3.8 52.38 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.477 1.11 . . . . 0.0 112.649 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.2 72.19 0.88 Allowed Glycine 0 C--N 1.354 1.535 0 O-C-N 124.024 0.827 . . . . 0.0 111.432 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -148.38 158.62 7.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.009 -172.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.994 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -117.05 120.78 39.4 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.03 171.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -93.61 131.51 38.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 110.695 -2.957 . . . . 0.0 107.415 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -132.02 122.8 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 35' ' ' VAL 0.3 2.1 t -100.01 123.94 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 1 CA-C-N 108.0 -4.182 . . . . 0.0 104.204 -175.882 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.18 128.91 39.01 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.652 -2.019 . . . . 0.0 108.129 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.11 146.02 16.13 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 111.143 -2.753 . . . . 0.0 108.858 170.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -97.18 120.44 46.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 116.74 -1.984 . . . . 0.0 106.775 168.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -107.63 144.17 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 110.377 -3.101 . . . . 0.0 109.139 -166.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.338 0.694 0 CA-C-N 110.843 -2.889 . . . . 0.0 106.742 -170.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -75.32 -30.66 60.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 125.584 1.803 . . . . 0.0 112.338 -171.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -66.78 -39.8 87.95 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.908 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -34.74 78.56 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.906 -1.952 . . . . 0.0 110.368 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.84 -20.71 63.41 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.917 -1.947 . . . . 0.0 112.563 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.07 12.19 14.15 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 124.066 0.854 . . . . 0.0 110.458 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.19 20.56 76.66 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.384 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -91.29 155.01 18.85 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -174.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.63 104.75 12.26 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 116.847 -1.941 . . . . 0.0 106.038 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 14.0 t -127.16 116.18 43.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.667 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.94 115.73 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 109.989 -3.278 . . . . 0.0 107.26 167.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -85.86 97.9 10.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.297 -2.229 . . . . 0.0 105.742 166.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.68 -18.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 112.685 -2.052 . . . . 0.0 110.855 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.95 -174.91 30.63 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.922 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' A' ' 10' ' ' VAL . 2.5 p -80.93 132.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.613 -1.793 . . . . 0.0 109.562 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.51 -139.23 0.07 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-N 111.283 -2.69 . . . . 0.0 110.174 163.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.493 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 59.8 p -166.6 15.97 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.565 1.166 . . . . 0.0 112.219 -168.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 t -159.67 152.53 21.66 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 125.06 2.362 . . . . 0.0 112.867 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.8 -28.85 66.36 Favored 'General case' 0 C--O 1.217 -0.625 1 CA-C-N 107.985 -4.188 . . . . 0.0 111.881 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.55 -37.95 58.8 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.374 1.046 . . . . 0.0 112.925 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -88.93 -34.59 16.86 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.406 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -38.21 56.63 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.325 1.059 . . . . 0.0 111.398 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.87 -32.76 53.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 CA-C-N 111.701 -2.5 . . . . 0.0 110.612 165.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -61.77 -36.73 81.91 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 118.571 -1.252 . . . . 0.0 110.881 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.58 62.64 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 112.095 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.21 66.23 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 115.598 -2.441 . . . . 0.0 113.398 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.58 -39.02 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.329 173.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -50.47 24.52 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.709 1.256 . . . . 0.0 112.826 -171.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 p -101.49 -28.98 12.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 125.569 1.793 . . . . 0.0 114.153 -171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 89.48 72.67 0.01 OUTLIER 'General case' 0 C--N 1.342 0.264 0 O-C-N 125.988 2.055 . . . . 0.0 109.809 173.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.77 133.24 54.03 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 109.988 -3.278 . . . . 0.0 111.237 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.22 -31.65 16.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.097 162.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.23 144.86 36.74 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.114 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.534 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.7 mt -124.5 128.07 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 111.387 -2.642 . . . . 0.0 106.996 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 56.2 m -115.0 136.42 53.14 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 111.148 -2.751 . . . . 0.0 109.299 -172.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.25 121.8 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 110.669 -2.968 . . . . 0.0 106.298 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -109.09 115.06 29.32 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.618 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' ILE . 27.1 m -100.72 117.09 34.12 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.939 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 CA--C 1.54 0.582 0 CA-C-N 112.097 -2.319 . . . . 0.0 108.682 163.206 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 112.166 -0.374 . . . . 0.0 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.07 -36.17 35.96 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.874 -1.163 . . . . 0.0 111.533 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.65 -44.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.362 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.26 -31.97 55.29 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.963 -1.471 . . . . 0.0 112.984 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.9 p -78.18 -26.69 47.73 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.997 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -75.78 125.74 29.66 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.539 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.63 20.39 56.39 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.876 -1.965 . . . . 0.0 112.666 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.7 -25.84 57.05 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 124.48 0.753 . . . . 0.0 112.032 163.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -54.49 46.36 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.36 169.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.409 31.6 tt0 -77.51 -26.25 51.0 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 118.717 2.858 . . . . 0.0 118.717 -176.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.313 39.5 mttp -76.22 -29.14 57.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.368 1.667 . . . . 0.0 112.659 165.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 86' ' ' ILE . 49.4 t -73.9 -39.74 63.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 123.959 1.837 . . . . 0.0 109.925 173.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.65 -37.44 87.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 109.789 -3.368 . . . . 0.0 110.911 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.293 3.5 pt-20 -73.2 -32.06 64.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.205 -2.725 . . . . 0.0 112.421 178.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 3.79 6.27 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 111.908 -2.405 . . . . 0.0 112.819 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.21 45.72 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.653 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' A' ' 86' ' ' ILE . 40.8 mt -133.63 69.66 1.47 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 112.043 -2.078 . . . . 0.0 107.139 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -98.92 117.24 32.98 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.356 -2.202 . . . . 0.0 108.008 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.16 -24.88 2.22 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 108.159 -1.977 . . . . 0.0 108.159 -172.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.8 mp -65.01 124.72 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 111.635 -2.283 . . . . 0.0 109.188 166.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' C ' HD23 ' A' ' 88' ' ' LEU . 47.3 mmtm -110.82 138.51 47.13 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 110.566 -3.015 . . . . 0.0 108.027 168.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.569 HD21 ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -109.82 133.64 52.93 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-O 124.17 1.938 . . . . 0.0 111.277 -167.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -107.87 129.93 55.04 Favored 'General case' 0 N--CA 1.45 -0.461 1 CA-C-N 108.076 -4.147 . . . . 0.0 106.84 171.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 123.8 34.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.094 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.27 152.01 20.48 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.838 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 94' ' ' ILE . . . 118.75 -152.08 17.5 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.952 -2.124 . . . . 0.0 110.605 170.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.15 83.7 6.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 112.718 -1.741 . . . . 0.0 108.057 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 4.6 pt -94.44 -3.14 10.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.954 -1.93 . . . . 0.0 113.65 -162.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 C--N 1.352 0.705 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -176.668 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.675 1.2 m-90 . . . . . 0 CA--C 1.546 0.789 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.29 -33.9 97.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 121.231 1.475 . . . . 0.0 114.136 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -80.21 -37.78 32.47 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.324 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.44 -43.31 56.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.01 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.01 -27.93 61.19 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.393 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -57.58 -48.15 80.16 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.371 1.044 . . . . 0.0 111.176 172.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -74.21 -53.14 10.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.661 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -61.04 -49.5 77.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.737 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.46 -28.94 65.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.297 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.1 -31.76 72.45 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.453 1.096 . . . . 0.0 111.73 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.0 mmt -78.03 -21.6 50.48 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 124.599 1.187 . . . . 0.0 111.348 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.3 -15.77 0.87 Allowed Glycine 0 C--N 1.356 1.681 0 C-N-CA 119.305 -1.426 . . . . 0.0 114.338 165.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -59.03 132.03 52.8 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.716 1.246 . . . . 0.0 111.799 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -71.61 -47.41 54.81 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 111.672 -2.513 . . . . 0.0 109.251 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -145.03 137.76 26.27 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.218 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.2 t -123.27 113.7 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 112.131 -2.304 . . . . 0.0 108.628 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' HG21 ' A' ' 121' ' ' THR . 44.4 m-85 -86.24 146.04 41.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.544 -1.207 . . . . 0.0 112.105 177.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.44 179.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 123.562 2.841 . . . . 0.0 116.872 -175.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.4 113.15 1.8 Allowed 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 121.7 1.6 . . . . 0.0 112.57 170.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.89 81.37 0.08 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.159 -1.837 . . . . 0.0 112.659 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -102.05 137.47 40.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.268 -1.466 . . . . 0.0 110.868 -175.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.67 161.03 0.42 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 111.66 -2.518 . . . . 0.0 111.356 162.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.07 -19.55 5.64 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.26 1.307 . . . . 0.0 113.916 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.03 -29.78 62.09 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.132 -171.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -62.88 -38.49 91.09 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.278 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 m -79.61 -31.63 41.72 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.706 2.504 . . . . 0.0 109.818 -170.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.27 -43.59 43.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.153 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.39 -30.87 63.56 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.304 29.5 t70 -69.76 -28.67 65.96 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 126.146 2.154 . . . . 0.0 112.259 168.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.464 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -72.22 -36.95 69.29 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.063 173.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -65.58 -50.29 65.68 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.962 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.5 -57.02 14.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.65 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.7 -47.21 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.867 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.454 HD12 ' SD ' ' A' ' 130' ' ' MET . 63.6 mt -89.36 10.81 21.06 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.546 1.154 . . . . 0.0 111.685 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.45 68.54 1.61 Allowed Glycine 0 C--N 1.357 1.706 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.854 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -145.32 3.13 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.949 -1.625 . . . . 0.0 113.793 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.912 -170.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 122.092 0.949 . . . . 0.0 108.687 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 109.97 21.86 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 111.957 -2.383 . . . . 0.0 106.906 167.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 53' ' ' THR . 98.7 m -89.16 134.3 34.07 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.973 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -111.31 122.93 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.93 -3.305 . . . . 0.0 103.857 162.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.571 HG13 HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -100.03 143.25 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 CA-C-N 109.862 -3.335 . . . . 0.0 105.136 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.35 128.71 38.25 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.283 -1.767 . . . . 0.0 107.597 164.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 145.72 16.07 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.538 -2.574 . . . . 0.0 109.203 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -97.59 120.37 46.84 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 117.522 -1.671 . . . . 0.0 107.28 170.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tt -99.05 141.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 112.166 -2.288 . . . . 0.0 108.696 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.419 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . . . . . . 0 CA--C 1.533 1.188 0 CA-C-N 111.208 -2.724 . . . . 0.0 108.314 -160.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 CA--C 1.537 0.442 0 CA-C-O 122.25 1.024 . . . . 0.0 112.768 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -78.22 -26.75 47.52 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 111.864 -2.426 . . . . 0.0 111.736 -172.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.629 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.7 m-30 -70.22 -36.89 74.85 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.032 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -35.87 79.35 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.421 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.35 -20.68 66.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.763 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.09 8.68 44.41 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 123.943 0.777 . . . . 0.0 110.145 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.03 79.67 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 113.818 -1.537 . . . . 0.0 112.148 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.39 139.72 30.74 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -77.99 104.87 8.82 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.629 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.0 t -125.92 108.74 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.756 -1.565 . . . . 0.0 107.992 -165.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -102.87 120.72 53.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-N 110.449 -3.069 . . . . 0.0 107.662 -176.551 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.81 100.08 11.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 112.897 -1.956 . . . . 0.0 106.594 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.78 -29.39 33.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.86 -166.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.42 171.88 13.13 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.944 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.38 125.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 111.637 -2.282 . . . . 0.0 107.799 167.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 tp -163.65 145.4 9.35 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 113.868 -1.515 . . . . 0.0 108.919 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 97.5 p -66.9 0.66 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.737 -2.483 . . . . 0.0 114.476 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -150.45 148.13 28.38 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.922 3.248 . . . . 0.0 115.463 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 47' ' ' ILE . 10.6 mt-30 -50.87 -28.8 10.32 Favored 'General case' 0 C--O 1.214 -0.794 1 CA-C-N 106.154 -5.021 . . . . 0.0 111.492 170.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -37.59 50.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.98 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -83.44 -29.12 28.32 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.728 1.267 . . . . 0.0 111.755 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.02 -41.19 51.75 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -69.42 -32.73 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.808 168.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -63.78 -28.57 69.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 117.125 -1.83 . . . . 0.0 111.882 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.779 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.18 -28.67 65.51 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.834 165.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -73.7 -30.46 62.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 170.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.26 -33.42 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -75.29 -50.82 14.87 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.643 -1.617 . . . . 0.0 112.071 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -87.38 -37.67 16.86 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 110.91 -2.859 . . . . 0.0 111.82 -167.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 53' ' ' THR . 53.4 mttp 82.88 79.92 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 111.734 -2.485 . . . . 0.0 110.177 -168.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.37 141.6 39.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 112.081 -2.327 . . . . 0.0 111.996 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.51 -31.3 16.81 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.012 -1.903 . . . . 0.0 110.095 154.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.6 pt? -140.44 145.1 36.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 122.883 1.325 . . . . 0.0 112.558 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.1 mt -124.48 130.61 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 111.087 -2.778 . . . . 0.0 107.012 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.53 141.11 48.15 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.245 -1.798 . . . . 0.0 110.356 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.67 126.58 65.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 CA-C-N 111.356 -2.656 . . . . 0.0 107.296 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 112.93 23.95 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.462 -1.699 . . . . 0.0 108.885 -175.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -101.38 121.41 41.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.749 -2.023 . . . . 0.0 108.963 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 112.324 -2.216 . . . . 0.0 108.041 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 114.496 0.558 . . . . 0.0 114.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.18 -33.89 68.02 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 122.911 1.339 . . . . 0.0 110.017 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.43 -44.04 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 111.156 -2.747 . . . . 0.0 110.556 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.85 -56.05 5.04 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.978 -1.465 . . . . 0.0 112.533 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.5 p -78.22 -26.7 47.53 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 112.276 -2.238 . . . . 0.0 114.236 -159.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.42 127.99 34.96 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.026 0.917 . . . . 0.0 111.104 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.38 14.51 27.82 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.63 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -31.27 59.59 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.577 0.81 . . . . 0.0 111.876 159.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -40.79 98.7 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 115.877 -2.329 . . . . 0.0 109.822 173.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.36 20.0 tp10 -77.79 -26.77 49.92 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -76.45 -29.94 57.15 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 124.899 1.375 . . . . 0.0 112.822 165.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 14.0 t -77.58 -29.02 51.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 123.628 1.68 . . . . 0.0 112.297 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.02 -42.95 62.67 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 110.986 -2.824 . . . . 0.0 109.235 172.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 34.8 mt-10 -73.24 -29.57 62.86 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 109.58 -3.464 . . . . 0.0 113.289 -176.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.7 -2.95 25.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 113.085 -1.871 . . . . 0.0 112.663 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 21.78 75.66 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.467 -171.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 50' ' ' ALA . 35.8 mt -108.53 23.33 14.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.724 -1.738 . . . . 0.0 109.875 -175.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.7 114.44 9.79 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 122.466 1.127 . . . . 0.0 110.407 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.6 -30.47 0.76 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 111.887 -2.415 . . . . 0.0 107.925 -172.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.6 mp -64.95 129.7 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 111.46 -2.37 . . . . 0.0 110.25 167.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -94.02 144.34 25.55 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 110.346 -3.115 . . . . 0.0 109.159 161.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.9 mt -115.27 135.22 54.39 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 122.88 1.324 . . . . 0.0 112.249 -172.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -107.93 146.29 32.6 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 110.97 -2.832 . . . . 0.0 108.165 166.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.47 123.97 33.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.839 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.7 152.07 18.78 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 124.153 0.908 . . . . 0.0 112.425 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.48 17.01 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 112.267 -1.967 . . . . 0.0 111.031 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -89.49 84.73 6.41 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.054 -1.573 . . . . 0.0 108.637 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 116' ' ' VAL . 10.1 pt -105.34 -26.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.941 -167.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--N 1.348 0.542 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.5 m-90 . . . . . 0 CA--C 1.54 0.581 0 N-CA-C 121.005 3.705 . . . . 0.0 121.005 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 CA-C-N 120.559 1.235 . . . . 0.0 114.589 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.17 -36.88 34.39 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.959 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.86 -41.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 124.021 0.826 . . . . 0.0 111.04 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.02 -28.16 61.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.122 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.34 -34.98 78.89 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 118.856 -1.138 . . . . 0.0 111.59 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.81 -53.11 12.39 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.637 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -75.09 -28.96 60.49 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.785 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -81.03 -31.97 34.31 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.837 1.335 . . . . 0.0 111.421 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.83 -28.01 69.26 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.729 1.268 . . . . 0.0 111.126 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.6 mmt -80.29 -44.42 19.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.374 -1.739 . . . . 0.0 110.391 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 153.88 -22.96 0.7 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 119.759 -1.21 . . . . 0.0 114.904 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -69.53 115.94 9.36 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 121.393 0.616 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -53.43 -47.26 69.81 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.371 -171.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.27 156.08 43.61 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.497 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 94' ' ' ILE . 88.9 t -119.36 131.8 70.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 112.115 -2.311 . . . . 0.0 109.527 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.84 137.57 19.83 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 124.948 1.405 . . . . 0.0 109.847 161.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -64.08 -178.11 0.56 Allowed 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 121.861 1.707 . . . . 0.0 113.314 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.57 123.3 2.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.656 1.57 . . . . 0.0 108.929 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 92.74 47.86 3.08 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.825 -177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.5 m -102.04 137.4 40.37 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.1 -1.55 . . . . 0.0 108.782 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -56.3 162.59 3.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 O-C-N 125.353 1.658 . . . . 0.0 110.262 163.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.07 -14.62 8.43 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.148 1.232 . . . . 0.0 114.018 170.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.96 -29.73 65.81 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.746 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -67.04 -36.07 81.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 112.944 -1.935 . . . . 0.0 112.437 175.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 6.2 m -79.45 -33.31 42.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.218 2.199 . . . . 0.0 108.775 -171.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.96 -41.16 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 112.013 -2.358 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.95 63.87 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 125.301 1.626 . . . . 0.0 110.427 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 60.5 t0 -62.47 -55.16 30.25 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.337 -2.21 . . . . 0.0 112.013 171.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.1 ptp -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.49 -57.1 10.15 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.077 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -63.49 -33.74 76.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.295 -1.775 . . . . 0.0 113.997 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.2 t -71.15 -43.03 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.848 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.18 3.52 23.37 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.329 1.018 . . . . 0.0 111.791 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.61 53.9 4.16 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.036 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.0 160.71 23.19 Favored 'Isoleucine or valine' 0 C--N 1.349 0.568 0 CA-C-N 112.497 -1.852 . . . . 0.0 106.477 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.527 178.036 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.98 109.79 20.56 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.563 -1.653 . . . . 0.0 107.092 167.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 53' ' ' THR . 78.9 m -95.31 133.14 39.55 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.215 166.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.45 129.8 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.947 0 CA-C-N 109.744 -3.389 . . . . 0.0 104.39 162.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.633 HG13 HG21 ' A' ' 37' ' ' ILE 0.252 1.1 t -110.25 134.62 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 CA-C-N 110.498 -3.046 . . . . 0.0 104.979 -175.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.52 128.56 37.58 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 115.4 -2.52 . . . . 0.0 109.474 171.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.31 145.86 16.02 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 111.684 -2.507 . . . . 0.0 111.001 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.62 120.3 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 117.309 -1.756 . . . . 0.0 106.955 165.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -96.85 144.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 112.238 -2.255 . . . . 0.0 108.649 -170.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.128 0 CA-C-N 111.643 -2.526 . . . . 0.0 108.422 -166.791 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 121.345 0.593 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -64.5 -35.87 82.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 113.129 -1.851 . . . . 0.0 112.631 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 126' ' ' THR . 6.8 m-30 -73.99 -37.53 64.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.499 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.67 -34.85 78.78 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.139 178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.59 -20.46 62.0 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.682 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.36 1.7 27.83 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.913 0.758 . . . . 0.0 111.014 -168.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.01 20.17 76.31 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.599 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -90.74 153.69 20.08 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 117.676 -1.609 . . . . 0.0 107.364 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 104.89 8.79 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.81 108.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.569 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -101.22 111.05 29.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 110.195 -3.184 . . . . 0.0 106.765 178.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.84 103.19 14.36 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.239 -1.801 . . . . 0.0 107.256 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.91 -29.46 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 111.752 -2.477 . . . . 0.0 112.117 -165.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.18 145.54 4.15 Favored Glycine 0 C--N 1.354 1.532 0 O-C-N 124.954 1.409 . . . . 0.0 111.525 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -80.9 132.7 31.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 112.351 -1.925 . . . . 0.0 106.685 162.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 tt 73.72 124.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.759 0 O-C-N 125.562 1.788 . . . . 0.0 108.526 -159.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -159.79 176.44 11.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.718 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.01 161.75 39.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.094 166.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -51.67 -28.97 16.3 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.805 1.316 . . . . 0.0 113.493 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.32 -34.6 68.91 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.902 1.376 . . . . 0.0 112.559 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -82.56 -37.03 25.7 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.081 -1.872 . . . . 0.0 112.55 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CE2' HG13 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.31 -34.55 59.03 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 122.712 1.244 . . . . 0.0 113.181 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mt -50.6 -46.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 110.488 -3.051 . . . . 0.0 111.352 159.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -67.16 -34.16 76.97 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.694 1.246 . . . . 0.0 111.359 -170.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.796 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.1 -28.78 61.52 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 116.829 -1.558 . . . . 0.0 112.026 171.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -73.88 -30.44 62.63 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 119.001 -1.079 . . . . 0.0 113.365 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.23 -36.35 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.03 -50.83 29.78 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.625 -1.625 . . . . 0.0 111.498 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.65 -38.94 13.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 110.149 -3.205 . . . . 0.0 111.384 -166.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' HG23 ' A' ' 53' ' ' THR . 6.8 mtmp? 82.62 83.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.774 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.172 -164.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.64 134.65 45.22 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 112.432 -2.167 . . . . 0.0 111.197 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.39 -32.78 16.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.956 158.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.311 2.5 pt? -140.36 145.13 36.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.185 1.469 . . . . 0.0 111.633 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.54 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 20.5 mt -126.53 120.75 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 110.6 -3.0 . . . . 0.0 107.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.8 t -115.14 138.47 50.87 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.053 -1.885 . . . . 0.0 109.096 -174.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -123.51 135.94 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.459 -178.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.27 112.64 25.6 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 112.602 -2.09 . . . . 0.0 106.757 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.1 p -115.97 136.95 52.56 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.133 -171.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 113.847 -1.524 . . . . 0.0 112.423 -156.531 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 CA-C-O 122.066 0.814 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.55 -28.01 63.56 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 112.81 -1.695 . . . . 0.0 111.433 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -91.1 -44.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 113.808 -1.542 . . . . 0.0 110.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.35 -41.72 39.32 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.2 -168.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.22 -45.61 22.54 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.018 1.449 . . . . 0.0 111.712 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -69.22 134.14 48.83 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.138 -171.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.88 10.79 71.62 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 112.837 -1.983 . . . . 0.0 112.542 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 tp -75.26 -25.66 58.21 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 125.024 1.073 . . . . 0.0 109.253 154.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -57.66 -53.99 51.96 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 113.93 -1.486 . . . . 0.0 109.815 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.372 11.5 mp0 -77.48 -26.28 51.16 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 176.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.398 20.9 ttmt -76.31 -29.18 57.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 125.2 1.563 . . . . 0.0 112.997 170.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.12 -38.2 52.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 123.473 1.606 . . . . 0.0 110.826 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.65 -43.65 98.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 110.247 -3.16 . . . . 0.0 109.001 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.337 2.3 pt-20 -73.27 -29.84 63.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.644 -2.98 . . . . 0.0 112.863 -177.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.75 3.0 7.09 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.645 -2.071 . . . . 0.0 112.813 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.19 35.95 32.64 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.696 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 86' ' ' ILE . 32.9 mt -135.23 71.96 1.44 Allowed 'General case' 0 C--N 1.347 0.489 0 CA-C-N 111.716 -2.242 . . . . 0.0 107.325 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -102.22 117.68 35.27 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.076 -1.874 . . . . 0.0 108.148 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.05 -20.57 2.12 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.498 -174.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.489 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.92 124.71 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-N 111.685 -2.258 . . . . 0.0 109.611 170.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.32 135.85 33.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 109.445 -3.525 . . . . 0.0 108.024 161.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.54 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 15.2 mt -109.96 134.9 51.61 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.979 1.371 . . . . 0.0 111.307 -175.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -107.62 136.21 47.76 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.234 -3.166 . . . . 0.0 106.328 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 p -135.25 123.79 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 112.189 -2.278 . . . . 0.0 105.72 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.61 152.08 22.77 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 118.397 -1.858 . . . . 0.0 113.157 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.71 -149.51 19.39 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 109.506 -3.347 . . . . 0.0 110.04 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -78.82 95.71 5.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.382 1.086 . . . . 0.0 109.86 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.0 pt -89.44 -43.99 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.339 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.348 0.542 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 174.048 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.572 1.5 m-90 . . . . . 0 CA--C 1.535 0.374 0 N-CA-C 119.888 3.292 . . . . 0.0 119.888 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.98 -39.9 40.46 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.857 1.342 . . . . 0.0 114.356 167.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.25 -45.04 18.64 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.449 -2.159 . . . . 0.0 112.543 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.0 -34.91 33.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 O-C-N 124.528 1.142 . . . . 0.0 111.716 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.03 -38.4 64.04 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.698 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -60.37 -33.33 72.3 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 118.556 -1.258 . . . . 0.0 111.575 174.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -75.24 -53.13 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.001 -176.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.04 -41.44 59.11 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.395 -168.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.28 -28.89 65.56 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.071 -1.877 . . . . 0.0 112.275 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.33 69.51 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.974 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.4 mmt -70.78 -39.03 73.43 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.395 1.059 . . . . 0.0 109.719 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.06 10.9 0.72 Allowed Glycine 0 C--N 1.355 1.607 0 CA-C-N 113.915 -1.493 . . . . 0.0 113.757 166.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.01 137.33 58.24 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.53 -52.88 59.26 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -144.87 141.26 28.94 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.734 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.26 113.7 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.296 -175.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -103.18 147.19 33.77 Favored Pre-proline 0 C--N 1.361 1.079 0 O-C-N 124.515 1.135 . . . . 0.0 113.407 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.33 169.73 9.66 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.806 2.338 . . . . 0.0 112.101 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.85 116.68 3.71 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 121.72 1.613 . . . . 0.0 111.772 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.71 74.17 1.27 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.898 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.06 137.29 40.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.778 -1.711 . . . . 0.0 107.96 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.34 156.07 77.65 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.321 164.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 -19.27 5.8 Favored 'Trans proline' 0 C--N 1.356 0.928 0 O-C-N 123.384 1.202 . . . . 0.0 115.079 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.96 -29.79 65.89 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.314 1.009 . . . . 0.0 110.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -33.08 71.25 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 112.674 -2.057 . . . . 0.0 112.28 176.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 1.6 m -79.13 -35.81 41.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 126.017 2.073 . . . . 0.0 108.787 -172.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.12 -33.01 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 110.973 -2.83 . . . . 0.0 109.524 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.37 -40.6 64.25 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.226 173.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 133' ' ' VAL 0.384 6.7 p30 -74.39 -33.99 63.19 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 114.054 -3.058 . . . . 0.0 114.182 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.9 -33.54 76.08 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.904 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.06 -57.27 4.15 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.911 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -57.64 -34.27 69.16 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.843 -1.526 . . . . 0.0 114.647 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 129' ' ' ASP . 25.1 t -68.53 -43.55 83.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.1 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.9 mt -98.05 19.91 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.587 1.179 . . . . 0.0 112.15 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.62 5.61 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.149 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.93 160.23 5.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-N 112.571 -1.815 . . . . 0.0 106.961 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.517 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.834 0.826 . . . . 0.0 109.446 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -87.67 109.86 19.99 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 112.642 -2.072 . . . . 0.0 107.367 164.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 53' ' ' THR . 37.6 m -97.21 127.58 43.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.604 -1.635 . . . . 0.0 107.823 166.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 123.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 110.333 -3.121 . . . . 0.0 104.119 160.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 37' ' ' ILE 0.314 1.1 t -99.93 133.88 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 CA-C-N 109.313 -3.585 . . . . 0.0 102.566 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.76 129.05 38.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 115.964 -2.294 . . . . 0.0 109.565 169.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.03 145.82 16.07 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 112.578 -2.101 . . . . 0.0 109.694 170.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HB ' HG12 ' A' ' 39' ' ' VAL . 89.1 t -97.6 120.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 171.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.424 HG21 ' SG ' ' A' ' 71' ' ' CYS . 6.6 tt -103.06 117.98 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 111.443 -2.617 . . . . 0.0 108.8 -163.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.981 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.571 177.37 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.0 m170 . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -74.01 -38.97 63.91 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 124.645 1.216 . . . . 0.0 111.764 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' HB3' HG21 ' A' ' 34' ' ' VAL . 12.6 m-30 -75.47 -37.57 60.17 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.239 -1.8 . . . . 0.0 111.031 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -35.42 77.79 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.373 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.5 -20.62 63.72 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.132 -2.304 . . . . 0.0 112.682 174.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 6.74 23.58 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.743 0.652 . . . . 0.0 111.063 -170.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.292 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -98.23 137.9 36.3 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -77.93 104.65 8.62 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.579 HG22 HG23 ' A' ' 6' ' ' ILE . 76.5 t -122.53 109.71 24.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 C-N-CA 117.985 -1.486 . . . . 0.0 109.549 -162.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.7 t -90.96 110.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 110.287 -3.142 . . . . 0.0 107.061 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.0 102.13 14.44 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.824 1.297 . . . . 0.0 108.162 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -72.14 -30.79 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 110.845 -2.889 . . . . 0.0 112.104 -162.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 163.55 11.13 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.961 -1.472 . . . . 0.0 109.881 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 10' ' ' VAL . 15.6 m -109.17 117.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.77 -1.715 . . . . 0.0 109.872 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp 158.81 143.44 0.01 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.844 2.458 . . . . 0.0 106.089 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 11' ' ' ILE . 29.0 t -74.06 125.69 28.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 113.876 -1.511 . . . . 0.0 110.058 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 171.86 93.96 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 111.653 -2.521 . . . . 0.0 106.748 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.23 -28.96 68.43 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.543 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.64 -25.82 63.1 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 125.024 1.453 . . . . 0.0 113.018 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -35.37 16.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.848 1.342 . . . . 0.0 111.997 -175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -38.11 56.96 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 122.622 1.201 . . . . 0.0 110.104 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.34 -32.9 56.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 110.572 -3.013 . . . . 0.0 110.88 165.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.79 -36.61 84.86 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 118.439 -1.305 . . . . 0.0 110.308 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.03 -28.66 61.53 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 116.637 -1.649 . . . . 0.0 112.628 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.34 -30.45 53.96 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 118.4 -1.32 . . . . 0.0 113.097 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.88 -36.39 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.77 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.96 -50.88 29.67 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.649 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -92.01 -33.62 14.76 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 110.636 -2.984 . . . . 0.0 112.538 -167.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 80.73 75.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 CA-C-N 111.399 -2.637 . . . . 0.0 109.005 -168.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.8 135.68 56.82 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 111.952 -2.386 . . . . 0.0 110.626 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.38 -30.82 17.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.775 159.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.299 2.7 pt? -140.48 145.21 36.63 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.797 -1.547 . . . . 0.0 111.334 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 86' ' ' ILE . 96.7 mt -124.12 127.58 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 111.263 -2.699 . . . . 0.0 106.136 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -115.02 140.65 48.88 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.706 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 121.8 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 111.08 -2.782 . . . . 0.0 107.598 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.76 113.17 25.16 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.125 1.515 . . . . 0.0 107.378 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.61 ' HG ' ' N ' ' A' ' 67' ' ' GLY . 1.4 t -100.81 155.68 17.79 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.613 1.197 . . . . 0.0 110.214 -173.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.351 0.664 0 CA-C-N 111.298 -2.683 . . . . 0.0 110.705 -170.745 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.61 ' N ' ' HG ' ' A' ' 62' ' ' SER . . . . . . . . 0 CA--C 1.536 1.405 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.34 -27.89 60.89 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.375 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.252 47.4 mm -91.13 -45.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.007 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -78.26 -56.49 4.42 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 112.752 -2.022 . . . . 0.0 113.878 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' ILE . 58.9 m -78.27 -25.99 46.95 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.941 -156.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 113.88 3.49 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.608 1.193 . . . . 0.0 111.614 -165.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.47 27.37 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.181 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.74 -26.04 57.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.899 1.0 . . . . 0.0 112.338 157.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -73.05 -37.96 66.65 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 117.568 -1.653 . . . . 0.0 108.653 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.375 31.5 tt0 -77.49 -26.36 51.19 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 174.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.295 27.3 mmtp -76.29 -29.29 57.33 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 125.365 1.666 . . . . 0.0 112.642 165.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.62 -36.9 57.17 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 125.269 1.605 . . . . 0.0 110.411 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.53 -43.69 96.4 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 110.671 -2.968 . . . . 0.0 109.953 173.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 24.1 mm-40 -73.12 -29.71 63.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 109.45 -3.523 . . . . 0.0 112.412 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.88 0.15 14.21 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.197 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.6 39.09 30.68 Favored Glycine 0 C--N 1.352 1.472 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 86' ' ' ILE . 47.2 mt -140.75 54.37 1.59 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 111.561 -2.319 . . . . 0.0 107.544 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 116.69 29.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.071 -1.877 . . . . 0.0 108.79 172.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.37 -28.44 1.21 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 111.938 -2.392 . . . . 0.0 107.521 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 58' ' ' ILE . 1.9 mp -65.24 124.77 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 111.948 -2.126 . . . . 0.0 109.949 167.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -91.01 137.57 32.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.755 163.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.479 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.1 mt -109.88 134.36 52.15 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 123.597 1.665 . . . . 0.0 110.878 -177.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -107.81 132.72 53.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 109.622 -3.445 . . . . 0.0 106.006 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 123.33 33.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.78 152.26 20.66 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 113.423 -1.717 . . . . 0.0 114.075 -160.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.85 -143.29 16.44 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 110.593 -2.804 . . . . 0.0 109.412 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.92 120.82 23.32 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 166.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.22 -24.9 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 124.86 1.35 . . . . 0.0 111.552 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 95' ' ' VAL . 62.4 t . . . . . 0 C--N 1.35 0.616 0 CA-C-O 122.494 1.14 . . . . 0.0 112.539 175.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.564 1.9 m-90 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 119.759 3.244 . . . . 0.0 119.759 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.02 -43.75 29.59 Favored 'Trans proline' 0 CA--C 1.551 1.37 0 N-CA-C 115.945 1.479 . . . . 0.0 115.945 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -80.18 -30.03 38.75 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.565 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG13 HG21 ' A' ' 95' ' ' VAL . 70.3 t -75.4 -52.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.196 -172.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.3 -37.29 80.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.346 174.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.95 -45.56 90.16 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.71 1.256 . . . . 0.0 111.744 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 46.6 ttm-85 -73.87 -53.31 10.48 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.319 1.012 . . . . 0.0 111.797 -170.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -50.23 64.92 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.2 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -73.5 -28.7 62.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.827 -2.442 . . . . 0.0 111.854 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.99 69.72 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 112.171 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.0 mmt -68.04 -54.11 20.77 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 118.882 -1.127 . . . . 0.0 109.128 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.51 6.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.553 0 CA-C-N 113.032 -1.895 . . . . 0.0 113.812 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.58 136.68 56.79 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-O 121.706 0.765 . . . . 0.0 109.325 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.01 -62.02 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 113.188 -1.824 . . . . 0.0 110.485 -172.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -145.17 147.98 33.07 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.971 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.13 115.69 46.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.001 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -85.08 135.79 39.07 Favored Pre-proline 0 C--N 1.351 0.65 0 CA-C-N 113.47 -1.695 . . . . 0.0 110.015 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -55.71 179.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.428 2.086 . . . . 0.0 114.917 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -62.86 115.79 3.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 121.176 1.251 . . . . 0.0 113.396 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.09 71.68 0.89 Allowed Glycine 0 C--N 1.352 1.439 0 CA-C-N 113.637 -1.62 . . . . 0.0 112.776 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.17 137.5 40.36 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.659 -1.771 . . . . 0.0 111.6 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -48.9 159.3 0.57 Allowed Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.5 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.07 -14.14 8.69 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.475 1.45 . . . . 0.0 113.005 174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.98 62.15 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.312 -173.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -31.68 70.76 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.621 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 -39.98 31.78 Favored 'General case' 0 N--CA 1.437 -1.081 0 O-C-N 126.485 2.366 . . . . 0.0 108.981 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.2 -34.03 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 110.773 -2.921 . . . . 0.0 109.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.35 65.56 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.428 -1.714 . . . . 0.0 111.481 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 133' ' ' VAL 0.476 23.0 p30 -77.03 -29.02 55.12 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 113.291 -3.364 . . . . 0.0 115.046 176.088 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.0 ptp -72.73 -29.76 63.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.899 173.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.24 -57.16 8.17 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.113 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.48 -45.32 92.0 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.924 -1.944 . . . . 0.0 114.555 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 129' ' ' ASP . 38.9 t -65.79 -46.3 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.274 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.5 mt -82.87 -1.76 52.92 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.186 -1.37 . . . . 0.0 112.11 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.27 71.61 1.07 Allowed Glycine 0 C--N 1.356 1.67 0 O-C-N 124.223 0.952 . . . . 0.0 110.807 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.0 t -143.89 165.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 112.426 -1.887 . . . . 0.0 107.058 -171.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.937 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -95.23 109.67 21.76 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 98.1 m -93.83 139.48 30.82 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.557 -2.111 . . . . 0.0 107.043 169.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -113.84 133.21 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 110.609 -2.996 . . . . 0.0 105.531 163.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 5' ' ' THR . 1.0 OUTLIER -122.77 116.88 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 111.157 -2.747 . . . . 0.0 105.406 -167.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.9 pp -132.3 128.99 38.94 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.223 -2.591 . . . . 0.0 110.924 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.21 145.37 15.86 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 111.137 -2.756 . . . . 0.0 109.264 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 61' ' ' SER . 14.6 t -97.92 121.0 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 168.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -96.72 121.8 47.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.198 -163.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.325 0 CA-C-N 111.292 -2.686 . . . . 0.0 111.065 169.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 121.283 0.564 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -75.7 -26.87 57.94 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.622 -174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' A' ' 126' ' ' THR . 12.7 m-85 -67.21 -36.4 81.62 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.635 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.72 84.4 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.903 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -68.86 -20.61 64.28 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.461 -2.154 . . . . 0.0 112.767 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.6 3.35 41.15 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.964 0.79 . . . . 0.0 110.522 -168.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.19 21.05 78.67 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.58 -1.645 . . . . 0.0 111.035 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.08 143.7 26.13 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 104.83 8.72 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 6' ' ' ILE . 94.2 t -124.06 108.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 CA-C-N 113.878 -1.51 . . . . 0.0 107.957 -170.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -98.45 110.75 26.55 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.057 174.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.15 104.78 17.3 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.788 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.45 -13.75 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 111.982 -2.372 . . . . 0.0 112.0 -170.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.11 170.05 23.18 Favored Glycine 0 C--N 1.357 1.741 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.686 163.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -80.91 149.06 5.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 112.089 -2.056 . . . . 0.0 108.961 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 tp 57.82 86.26 0.08 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.023 -1.899 . . . . 0.0 110.692 -174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -159.27 162.93 36.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 109.98 -3.282 . . . . 0.0 106.971 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -151.81 178.89 8.92 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.208 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -47.99 -28.83 2.98 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -163.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -60.92 -39.27 88.76 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.172 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -81.09 -32.63 33.8 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.986 -1.461 . . . . 0.0 113.124 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.855 ' CE2' HG12 ' A' ' 60' ' ' VAL . 21.0 m-85 -74.05 -48.18 31.73 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.563 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 74' ' ' LEU . 5.3 pt -59.25 -32.87 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 113.242 -1.799 . . . . 0.0 111.028 169.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -68.06 -29.03 67.89 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 125.24 1.587 . . . . 0.0 110.823 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.864 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.02 -28.84 61.63 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 115.701 -2.095 . . . . 0.0 112.135 170.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -74.51 -30.67 61.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.339 1.427 . . . . 0.0 113.548 173.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' A' ' 81' ' ' ALA . 33.7 mt -70.39 -36.06 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 113.527 -1.67 . . . . 0.0 108.15 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.11 -51.07 11.65 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.695 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 1.4 t -84.05 -39.55 19.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.59 -2.55 . . . . 0.0 112.634 -165.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' HG23 ' A' ' 53' ' ' THR . 29.3 mtpt 91.05 66.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 126.851 2.595 . . . . 0.0 110.608 -167.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -86.06 137.47 32.67 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.363 -1.744 . . . . 0.0 110.803 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.32 -24.35 20.9 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.485 165.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.2 pt? -140.29 145.04 36.75 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 123.417 1.579 . . . . 0.0 112.853 -175.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.637 ' HB ' HD22 ' A' ' 88' ' ' LEU . 58.9 mt -127.96 107.82 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 110.031 -3.259 . . . . 0.0 108.575 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.8 m -103.62 114.67 29.11 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.628 1.205 . . . . 0.0 111.26 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.855 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.1 m -97.72 148.18 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 122.113 0.958 . . . . 0.0 109.557 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.478 ' HB2' HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -115.1 117.33 30.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 112.039 -2.346 . . . . 0.0 108.506 -179.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 t -100.98 164.27 11.9 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 122.398 1.094 . . . . 0.0 109.206 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.54 0.591 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.096 -165.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.221 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -39.85 48.28 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-O 122.54 1.162 . . . . 0.0 109.552 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.33 -32.34 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 111.749 -2.478 . . . . 0.0 110.44 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.33 -35.11 68.5 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.102 -1.408 . . . . 0.0 110.016 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.7 t -51.63 -38.94 56.98 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.117 -172.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 111.86 14.41 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.74 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.82 78.85 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 111.837 -2.438 . . . . 0.0 115.877 153.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 47' ' ' ILE . 7.4 tp -75.78 -25.97 56.93 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.339 1.069 . . . . 0.0 111.186 152.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -57.83 -50.45 73.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.992 1.432 . . . . 0.0 109.984 166.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 27.8 mt-10 -77.6 -26.46 50.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.285 32.5 mmtp -76.51 -29.46 56.8 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 125.137 1.523 . . . . 0.0 112.966 168.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 83' ' ' LEU . 47.4 t -77.08 -40.2 46.92 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 125.675 1.86 . . . . 0.0 109.596 174.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.82 -39.65 93.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 110.439 -3.073 . . . . 0.0 110.078 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 27.8 mt-10 -73.09 -29.46 62.94 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 110.384 -3.098 . . . . 0.0 112.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 51' ' ' ILE . . . -73.58 -0.34 14.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.4 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.02 17.76 79.85 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.244 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 HG13 ' A' ' 51' ' ' ILE . 35.5 mt -90.79 -25.81 19.76 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 113.243 -1.479 . . . . 0.0 111.519 -173.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 114.0 0.12 Allowed 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.798 1.936 . . . . 0.0 114.02 -170.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.35 -27.48 0.78 Allowed Glycine 0 C--N 1.344 0.994 0 CA-C-N 111.062 -2.79 . . . . 0.0 107.605 -170.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 HD23 ' A' ' 88' ' ' LEU . 1.3 mp -64.99 136.23 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 111.574 -2.313 . . . . 0.0 110.42 166.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.56 134.22 34.23 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 108.928 -3.76 . . . . 0.0 108.046 162.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.8 mt -109.8 137.17 47.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-O 123.329 1.538 . . . . 0.0 108.871 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -107.48 146.18 32.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 110.208 -3.178 . . . . 0.0 107.821 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.26 123.82 34.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 113.032 -1.895 . . . . 0.0 107.674 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.01 23.89 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 113.815 -1.539 . . . . 0.0 110.967 -171.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.4 108.24 0.24 Allowed Glycine 0 CA--C 1.536 1.351 0 CA-C-N 112.351 -1.924 . . . . 0.0 111.825 170.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 56.83 53.74 7.9 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 122.414 1.102 . . . . 0.0 110.246 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 pt -75.24 -55.95 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 111.866 -2.425 . . . . 0.0 112.561 -161.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.349 0.564 0 CA-C-O 123.853 1.787 . . . . 0.0 110.361 -163.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.3 1.9 m-90 . . . . . 0 CA--C 1.545 0.754 0 N-CA-C 119.305 3.076 . . . . 0.0 119.305 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 -39.24 91.07 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 114.924 1.086 . . . . 0.0 114.924 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.99 -43.07 22.65 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.859 -1.973 . . . . 0.0 111.597 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.76 -57.95 8.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 113.89 -1.504 . . . . 0.0 110.246 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.46 -28.35 69.15 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.186 1.554 . . . . 0.0 112.528 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -57.77 -43.02 85.25 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 118.155 -1.418 . . . . 0.0 111.449 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -78.1 -37.91 45.28 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.937 -1.483 . . . . 0.0 112.494 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.04 -39.37 61.07 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.09 0.869 . . . . 0.0 111.189 -171.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -71.23 -28.63 64.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.944 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.93 67.94 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 124.158 0.911 . . . . 0.0 112.073 173.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 22.8 mmt -74.87 -37.08 62.26 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 124.153 0.908 . . . . 0.0 109.584 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.46 -17.4 3.76 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-N 112.776 -2.011 . . . . 0.0 112.406 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.17 115.8 5.35 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 122.004 0.907 . . . . 0.0 109.231 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.39 -37.39 71.57 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.745 -2.48 . . . . 0.0 111.892 -161.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -140.96 147.49 38.85 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 124.976 1.422 . . . . 0.0 110.874 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.34 113.94 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 110.649 -2.978 . . . . 0.0 110.077 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.439 ' HB3' HG21 ' A' ' 121' ' ' THR . 29.1 m-85 -93.05 146.5 32.09 Favored Pre-proline 0 C--N 1.36 1.062 0 O-C-N 124.043 0.839 . . . . 0.0 111.371 168.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -62.81 -178.86 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 122.086 1.857 . . . . 0.0 114.961 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.89 120.98 6.96 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 122.452 2.101 . . . . 0.0 111.485 162.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.49 66.19 2.21 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.589 -1.641 . . . . 0.0 111.384 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -96.89 137.73 35.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 111.943 -2.128 . . . . 0.0 109.313 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.7 149.13 4.62 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.291 158.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.06 -9.91 10.47 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 121.043 1.162 . . . . 0.0 113.497 173.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.28 -29.71 68.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -70.93 -36.66 72.73 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 113.38 -1.737 . . . . 0.0 112.382 177.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.41 -32.78 42.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 126.285 2.24 . . . . 0.0 109.194 -173.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.3 mt -75.15 -39.76 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.728 -2.487 . . . . 0.0 110.414 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.62 64.22 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.348 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.3 t0 -63.99 -55.18 24.24 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 116.447 -2.101 . . . . 0.0 112.732 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.5 ptp -65.32 -33.09 75.15 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.986 0.804 . . . . 0.0 112.305 -173.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.93 -56.73 5.59 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.373 -1.74 . . . . 0.0 109.769 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.05 -37.35 82.33 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.94 -38.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.878 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.09 -4.33 58.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.495 1.122 . . . . 0.0 111.876 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.33 79.15 0.36 Allowed Glycine 0 C--N 1.353 1.52 0 O-C-N 124.297 0.998 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.82 155.85 8.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.926 -1.637 . . . . 0.0 107.661 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 CA--C 1.543 0.684 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.563 -179.213 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 109.82 22.5 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 112.237 -2.256 . . . . 0.0 106.659 168.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 53' ' ' THR . 94.5 m -92.74 130.54 38.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 112.498 -2.137 . . . . 0.0 107.801 170.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 131.78 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 CA-C-N 110.313 -3.13 . . . . 0.0 104.87 160.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.26 1.2 t -117.36 136.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 109.832 -3.349 . . . . 0.0 103.618 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 129.16 38.66 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.603 -2.439 . . . . 0.0 108.771 167.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.05 145.84 16.07 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 111.863 -2.426 . . . . 0.0 110.824 173.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.43 120.63 47.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.82 144.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 111.364 -2.653 . . . . 0.0 112.13 -160.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.449 0 CA-C-N 111.35 -2.659 . . . . 0.0 111.246 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.219 -0.527 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -37.65 83.79 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.79 1.307 . . . . 0.0 112.034 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -76.0 -35.63 59.5 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.831 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.44 79.58 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.4 1.095 . . . . 0.0 109.436 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.26 -20.48 62.9 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 111.561 -2.563 . . . . 0.0 112.774 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 4.8 21.09 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 123.753 0.658 . . . . 0.0 110.677 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 17.26 74.56 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -92.56 156.16 17.31 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 117.294 -1.762 . . . . 0.0 108.9 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -77.84 104.98 8.72 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 162.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.54 108.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 113.207 -1.815 . . . . 0.0 107.684 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -100.71 117.36 45.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 110.401 -3.09 . . . . 0.0 106.9 179.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -85.83 100.97 12.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.744 -2.025 . . . . 0.0 106.683 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -41.0 80.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.389 -167.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.96 156.07 8.02 Favored Glycine 0 C--N 1.352 1.469 0 CA-C-N 113.049 -1.887 . . . . 0.0 111.184 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 t -80.9 170.13 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 110.69 -2.755 . . . . 0.0 105.514 159.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tp 83.96 38.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.328 1.018 . . . . 0.0 110.719 172.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -179.16 4.15 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.704 -170.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 m -153.38 -170.04 3.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.718 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.761 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.3 pt20 -48.01 -45.22 31.61 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -166.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.01 -24.95 63.37 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 124.433 1.083 . . . . 0.0 111.905 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.88 -31.4 40.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.659 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.58 -37.44 56.5 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.639 1.685 . . . . 0.0 112.166 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.89 -36.25 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.115 -3.675 . . . . 0.0 112.981 158.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -70.76 -28.83 64.98 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.083 0.864 . . . . 0.0 111.282 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.778 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.89 -28.67 64.71 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 116.527 -1.702 . . . . 0.0 111.596 164.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.55 65.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.595 -1.242 . . . . 0.0 113.879 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.5 mt -68.28 -36.94 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 172.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.12 -50.74 25.53 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.384 -1.734 . . . . 0.0 111.771 -172.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.26 -36.06 15.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.295 -3.139 . . . . 0.0 111.468 -167.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 53' ' ' THR . 63.1 mttm 80.79 79.84 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 CA-C-N 111.942 -2.39 . . . . 0.0 109.794 -166.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 139.35 49.98 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 112.477 -2.147 . . . . 0.0 111.886 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -90.36 -34.22 15.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.567 156.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.317 2.6 pt? -140.31 144.97 36.64 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 123.317 1.532 . . . . 0.0 112.916 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 44.2 mt -123.35 126.75 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 110.349 -3.114 . . . . 0.0 106.843 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 t -115.05 141.07 48.5 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.065 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.78 121.86 60.81 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 111.021 -2.809 . . . . 0.0 106.409 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 112.82 24.89 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 112.877 -1.965 . . . . 0.0 107.424 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 120.92 41.44 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.659 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.0 mt . . . . . 0 C--N 1.347 0.495 0 CA-C-N 112.416 -2.175 . . . . 0.0 109.112 -167.401 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.835 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -65.35 -27.93 68.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 125.023 1.072 . . . . 0.0 111.87 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.96 -44.61 92.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 O-C-N 124.753 1.283 . . . . 0.0 110.696 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -56.34 4.58 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.584 1.178 . . . . 0.0 111.853 173.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 71.2 m -56.75 -25.66 55.51 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.685 -2.052 . . . . 0.0 113.655 -164.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 112.0 0.91 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.695 1.247 . . . . 0.0 111.224 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.88 56.35 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.847 -1.979 . . . . 0.0 112.474 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 43' ' ' GLN . 37.7 tp -75.75 -26.23 57.24 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.432 0.724 . . . . 0.0 111.076 153.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -63.98 -45.24 89.96 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.368 169.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.326 27.9 mt-10 -77.49 -26.29 51.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -29.61 56.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.563 1.79 . . . . 0.0 111.894 167.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.34 -35.16 54.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.537 1.637 . . . . 0.0 110.858 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.62 -43.37 84.93 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 109.942 -3.299 . . . . 0.0 109.789 172.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.314 25.4 mm-40 -73.24 -29.77 63.0 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 109.898 -3.319 . . . . 0.0 112.845 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 0.54 12.89 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.832 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 38.77 34.67 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -141.23 47.15 1.71 Allowed 'General case' 0 C--N 1.347 0.5 0 CA-C-N 111.735 -2.233 . . . . 0.0 108.566 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 116.63 22.88 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.329 172.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.88 -28.83 0.92 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 112.311 -2.222 . . . . 0.0 107.944 -170.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.97 124.87 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 111.528 -2.336 . . . . 0.0 110.222 168.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -89.28 150.45 22.6 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 109.865 -3.334 . . . . 0.0 108.039 158.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.547 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 22.5 mt -125.82 137.72 53.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.675 1.226 . . . . 0.0 111.286 -170.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -107.81 132.51 53.34 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.532 170.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.02 123.6 34.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.97 152.16 24.0 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 112.951 -1.931 . . . . 0.0 113.407 -168.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.8 -146.38 16.3 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 110.743 -2.729 . . . . 0.0 108.589 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.91 -48.9 51.09 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.266 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.5 pt 49.39 35.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 111.103 -2.772 . . . . 0.0 112.892 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--N 1.347 0.483 0 CA-C-N 112.082 -2.326 . . . . 0.0 105.588 176.72 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.44 1.3 m-90 . . . . . 0 CA--C 1.559 1.321 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.8 -52.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.373 1.847 0 CA-C-N 123.246 2.195 . . . . 0.0 112.22 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.24 -29.92 38.46 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.94 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.97 -49.1 83.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.205 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -66.58 -33.76 76.38 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.606 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -61.54 -37.14 82.7 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.333 1.02 . . . . 0.0 111.853 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -74.33 -53.22 10.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.944 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.73 -55.01 12.74 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.413 -1.722 . . . . 0.0 111.275 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -64.66 -30.28 71.29 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.119 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.1 94.33 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.824 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.2 ptm -74.2 -21.65 59.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.976 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.28 -2.72 2.35 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 124.485 1.115 . . . . 0.0 114.975 162.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -54.8 134.55 47.9 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.965 0.888 . . . . 0.0 111.222 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.92 -56.54 11.22 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 112.458 -2.155 . . . . 0.0 110.697 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -134.99 146.6 49.22 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.093 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.07 113.78 39.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.07 -2.332 . . . . 0.0 107.455 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -92.56 122.21 64.74 Favored Pre-proline 0 C--N 1.347 0.475 0 CA-C-N 112.67 -2.059 . . . . 0.0 112.458 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -52.8 165.35 1.19 Allowed 'Trans proline' 0 C--N 1.371 1.744 0 N-CA-C 114.936 1.091 . . . . 0.0 114.936 167.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.96 0.27 3.31 Favored 'Trans proline' 0 C--N 1.369 1.61 0 N-CA-C 119.152 2.712 . . . . 0.0 119.152 -167.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.43 75.55 0.17 Allowed Glycine 0 C--N 1.348 1.209 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.08 137.33 40.5 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.023 -2.088 . . . . 0.0 110.079 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -50.76 169.41 0.21 Allowed Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.686 -2.507 . . . . 0.0 111.387 168.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.76 -19.87 5.81 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 120.906 1.071 . . . . 0.0 113.461 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -74.35 -29.97 61.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.273 -168.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -31.77 64.44 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.847 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -39.63 32.66 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 126.418 2.324 . . . . 0.0 108.943 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 85.8 mt -75.04 -32.8 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 109.601 -3.454 . . . . 0.0 108.588 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.24 65.32 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.526 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.433 27.9 p30 -75.64 -31.46 59.83 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 114.058 -3.057 . . . . 0.0 114.509 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 8.1 ptp -71.75 -40.15 69.54 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 118.066 -1.453 . . . . 0.0 112.545 171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -63.56 -57.07 11.3 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.15 -33.87 71.41 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.038 -1.437 . . . . 0.0 114.214 -176.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.86 -45.38 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.972 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 70.2 mt -83.55 8.42 14.19 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.006 -173.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.07 53.7 6.08 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 122.214 0.897 . . . . 0.0 111.256 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -149.17 177.11 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 112.09 -2.055 . . . . 0.0 106.537 -174.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.962 172.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.393 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -89.48 109.45 20.38 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 116.765 -1.974 . . . . 0.0 107.056 165.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 53' ' ' THR . 26.5 m -87.78 141.98 28.17 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 112.725 -2.034 . . . . 0.0 106.15 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 34' ' ' VAL . 1.2 mt -107.27 122.4 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 159.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 58' ' ' ILE 0.294 2.2 t -100.26 116.98 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.158 0 CA-C-N 109.379 -3.555 . . . . 0.0 101.766 175.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.06 128.93 39.29 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 116.34 -2.144 . . . . 0.0 107.133 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.78 145.66 16.06 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 110.932 -2.849 . . . . 0.0 108.595 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 63' ' ' LEU . 42.6 t -97.47 120.17 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tt -96.81 130.4 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 111.968 -2.378 . . . . 0.0 107.323 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.341 0.809 0 CA-C-N 111.989 -2.369 . . . . 0.0 108.261 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.545 0.688 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -60.37 -38.36 83.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.062 -1.881 . . . . 0.0 114.076 -168.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CB ' HG21 ' A' ' 34' ' ' VAL . 24.5 m-85 -73.45 -35.4 65.73 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.171 -1.377 . . . . 0.0 110.91 -173.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -35.63 80.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.161 -1.836 . . . . 0.0 110.068 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.51 -20.63 62.82 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.228 -2.26 . . . . 0.0 112.256 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.24 4.36 50.84 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.153 0.908 . . . . 0.0 110.358 -170.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.95 76.16 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.35 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -94.62 147.88 22.83 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -179.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -77.9 111.71 14.02 Favored 'General case' 0 C--N 1.361 1.07 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.705 HG21 ' CB ' ' A' ' 27' ' ' PHE . 86.4 t -127.32 108.88 19.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 118.054 -1.458 . . . . 0.0 109.171 -173.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.01 110.97 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 110.787 -2.915 . . . . 0.0 107.493 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -85.96 104.42 15.57 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.99 -1.914 . . . . 0.0 107.076 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.82 -19.55 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 112.831 -1.986 . . . . 0.0 111.117 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.08 -172.19 23.18 Favored Glycine 0 C--N 1.355 1.61 0 CA-C-N 113.682 -1.599 . . . . 0.0 110.344 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 m -80.93 118.01 27.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 CA-C-N 112.605 -1.797 . . . . 0.0 108.095 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 134.56 2.29 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.051 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 1.5 m -104.47 52.98 0.74 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.503 -1.68 . . . . 0.0 111.486 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 m -162.49 118.88 1.95 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -28.86 67.14 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.128 -1.851 . . . . 0.0 111.876 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.95 -33.15 62.07 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.732 1.27 . . . . 0.0 112.102 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.23 -27.08 30.19 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 113.991 -1.458 . . . . 0.0 112.311 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -47.1 25.5 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.003 0.906 . . . . 0.0 110.005 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.8 mt -49.91 -32.53 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 129.805 3.242 . . . . 0.0 112.05 158.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -36.52 79.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 116.854 -1.938 . . . . 0.0 109.622 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.89 -55.13 14.01 Favored 'General case' 0 C--N 1.361 1.094 0 CA-C-O 115.179 -2.343 . . . . 0.0 111.412 158.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.56 70.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 113.026 -3.47 . . . . 0.0 116.717 -162.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.68 -53.16 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.722 167.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.58 -50.74 56.95 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 5' ' ' THR . 14.1 t -84.53 -44.14 13.86 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.704 -168.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.546 ' N ' HG23 ' A' ' 53' ' ' THR . 35.4 mttt 95.32 73.95 0.0 OUTLIER 'General case' 0 C--N 1.35 0.609 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.484 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.411 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -56.63 133.9 54.1 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 110.824 -2.898 . . . . 0.0 109.05 169.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -26.94 19.5 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.312 153.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.489 HD21 HG12 ' A' ' 6' ' ' ILE . 2.7 pt? -140.45 144.72 36.26 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.982 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.525 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.6 mt -120.33 129.54 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 111.185 -2.734 . . . . 0.0 108.307 176.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.19 138.27 51.11 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.969 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 121.78 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 111.595 -2.548 . . . . 0.0 107.132 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -115.09 112.81 23.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.188 1.555 . . . . 0.0 109.356 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 p -100.89 164.06 12.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.152 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 10' ' ' VAL . 88.7 mt . . . . . 0 C--N 1.352 0.713 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.633 -160.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.22 -0.724 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.85 -32.19 69.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.601 -1.8 . . . . 0.0 112.319 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.96 -44.35 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.479 -172.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -48.55 17.08 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 73.7 m -56.56 -25.56 52.59 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.317 -2.22 . . . . 0.0 113.431 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -49.65 112.07 0.6 Allowed 'General case' 0 CA--C 1.548 0.9 0 O-C-N 124.763 1.29 . . . . 0.0 112.164 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.55 44.03 17.46 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.398 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 58' ' ' ILE . 1.8 tt -75.58 -29.47 59.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.615 0.832 . . . . 0.0 110.11 154.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 -61.82 -43.46 98.8 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 116.397 -2.121 . . . . 0.0 110.191 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.329 31.3 mt-10 -77.45 -26.29 51.32 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 117.716 2.487 . . . . 0.0 117.716 179.214 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.254 96.6 mttt -76.47 -29.59 56.95 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 125.193 1.558 . . . . 0.0 113.656 166.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.7 t -77.2 -35.26 55.84 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.388 1.566 . . . . 0.0 111.264 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -76.82 -34.0 57.93 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 110.293 -3.14 . . . . 0.0 109.358 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.329 0.0 OUTLIER -73.21 -29.86 63.1 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 116.492 -2.083 . . . . 0.0 112.891 176.74 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 0.26 13.54 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.328 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 34.64 47.12 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -134.67 37.67 3.08 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.983 -2.109 . . . . 0.0 109.501 -173.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 116.5 18.75 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.842 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.77 -34.55 0.87 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-N 111.703 -2.498 . . . . 0.0 107.41 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.1 mp -64.89 124.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 111.624 -2.288 . . . . 0.0 110.633 169.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.21 148.33 23.01 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 109.8 -3.364 . . . . 0.0 108.048 171.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 58' ' ' ILE . 49.0 mt -127.8 132.62 49.46 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.562 1.649 . . . . 0.0 112.043 -164.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -107.91 141.47 39.48 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 110.466 -3.061 . . . . 0.0 107.843 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.7 34.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 CA-C-N 112.854 -1.975 . . . . 0.0 107.432 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.49 152.17 22.33 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 113.205 -1.816 . . . . 0.0 111.665 -167.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.96 -130.63 10.31 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.611 -2.294 . . . . 0.0 109.765 171.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.0 76.17 9.86 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.762 1.267 . . . . 0.0 109.687 -172.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.8 pt -80.77 -49.02 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 111.462 -2.608 . . . . 0.0 111.287 -169.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.543 0.687 0 CA-C-N 113.435 -1.711 . . . . 0.0 111.745 -175.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.391 1.7 m-90 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 119.139 3.014 . . . . 0.0 119.139 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.8 -38.62 85.45 Favored 'Trans proline' 0 C--N 1.362 1.239 0 N-CA-C 115.567 1.334 . . . . 0.0 115.567 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.14 -46.71 15.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 113.252 -1.794 . . . . 0.0 111.332 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.16 -59.01 4.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.38 -174.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.39 -27.78 68.12 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 112.59 -2.095 . . . . 0.0 112.994 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -55.7 -35.53 66.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 117.656 -1.618 . . . . 0.0 112.112 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -52.99 11.45 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.265 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -68.42 -32.13 71.95 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.313 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -81.08 -28.42 35.28 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 125.175 1.547 . . . . 0.0 111.407 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.62 -29.63 66.65 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 124.299 1.0 . . . . 0.0 111.566 168.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 20.9 mmt -79.28 -43.68 23.19 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.65 10.57 9.23 Favored Glycine 0 CA--C 1.54 1.599 0 CA-C-N 113.425 -1.716 . . . . 0.0 114.11 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -52.17 115.98 1.98 Allowed 'General case' 0 C--N 1.36 1.028 0 CA-C-O 121.214 0.531 . . . . 0.0 111.089 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -36.82 -59.55 0.68 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 125.877 1.986 . . . . 0.0 112.951 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -145.11 156.15 43.73 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 124.826 1.329 . . . . 0.0 109.968 168.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -111.89 113.99 45.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.83 -2.441 . . . . 0.0 108.962 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HB3' HG21 ' A' ' 121' ' ' THR . 21.2 m-85 -88.93 143.79 31.95 Favored Pre-proline 0 C--N 1.359 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 111.747 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.02 179.82 0.53 Allowed 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.508 2.139 . . . . 0.0 114.822 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.74 117.66 4.58 Favored 'Trans proline' 0 C--N 1.363 1.308 0 C-N-CA 121.466 1.444 . . . . 0.0 110.643 165.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.33 66.94 1.6 Allowed Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.526 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.02 137.52 40.19 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.358 -1.921 . . . . 0.0 110.29 -177.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.56 157.16 0.75 Allowed Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.87 162.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.41 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.17 1.247 . . . . 0.0 112.909 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.25 -29.73 64.19 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.531 1.144 . . . . 0.0 111.467 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -72.56 -34.43 67.49 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 124.925 1.391 . . . . 0.0 112.02 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.71 -37.8 34.86 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 126.472 2.357 . . . . 0.0 108.965 -171.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 82.9 mt -75.22 -37.12 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.94 63.91 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.881 1.363 . . . . 0.0 111.033 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' THR . 58.9 t0 -59.75 -55.53 33.19 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.18 -2.208 . . . . 0.0 112.229 172.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.408 ' SD ' HD11 ' A' ' 6' ' ' ILE . 16.9 ptt? -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.906 0.754 . . . . 0.0 112.315 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.75 -57.07 14.52 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.525 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.5 -57.06 14.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.682 -1.599 . . . . 0.0 113.267 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.22 -47.07 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 112.523 -2.126 . . . . 0.0 113.278 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.31 8.97 19.29 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.193 0.933 . . . . 0.0 111.841 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.73 71.85 1.0 Allowed Glycine 0 C--N 1.355 1.627 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.548 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -146.4 162.44 9.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 112.897 -1.652 . . . . 0.0 107.052 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.869 177.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 115.42 28.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.011 -1.904 . . . . 0.0 107.724 172.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 53' ' ' THR . 19.7 m -82.92 128.14 34.17 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 110.927 -2.851 . . . . 0.0 107.477 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 HG12 HG13 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -122.99 149.15 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.17 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 170.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 5.3 t -130.17 116.82 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.404 0 CA-C-N 108.954 -3.748 . . . . 0.0 103.245 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.7 129.01 50.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 103.284 -2.858 . . . . 0.0 103.284 167.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.32 142.95 14.79 Favored Glycine 0 C--N 1.344 0.975 0 N-CA-C 103.835 -3.706 . . . . 0.0 103.835 167.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t -98.03 120.63 47.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 117.878 -1.529 . . . . 0.0 107.003 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -100.62 117.74 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.295 -177.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 CA-C-N 110.772 -2.922 . . . . 0.0 112.42 173.11 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -75.94 -26.87 57.29 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.886 1.366 . . . . 0.0 113.377 -159.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -67.0 -39.45 87.11 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.855 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -35.59 81.37 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 112.429 -2.168 . . . . 0.0 110.673 177.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -71.87 -20.69 61.76 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.451 -2.159 . . . . 0.0 112.346 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.2 14.0 13.7 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.179 0.924 . . . . 0.0 110.617 -164.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.43 20.25 76.8 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.712 -175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 151.74 19.65 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -79.41 104.64 10.16 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 6' ' ' ILE . 21.0 t -127.27 123.29 61.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 125.079 1.487 . . . . 0.0 110.356 -172.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 53' ' ' THR . 6.4 t -101.64 115.41 43.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 CA-C-N 111.449 -2.614 . . . . 0.0 107.883 173.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.97 97.96 10.55 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 112.244 -2.253 . . . . 0.0 108.238 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -68.82 -29.29 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 111.018 -2.81 . . . . 0.0 110.406 175.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.65 177.62 41.94 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.783 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.96 139.05 18.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 113.415 -1.393 . . . . 0.0 111.021 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -160.14 -49.33 0.05 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.53 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t 69.56 87.45 0.12 Allowed 'General case' 0 C--N 1.344 0.364 0 CA-C-N 111.444 -2.617 . . . . 0.0 111.397 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p 179.13 128.83 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 125.376 1.672 . . . . 0.0 110.229 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -47.81 -33.82 7.81 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.236 -2.256 . . . . 0.0 112.028 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.44 -39.45 73.14 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.623 1.202 . . . . 0.0 113.264 -170.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.97 -30.58 19.92 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 124.375 1.047 . . . . 0.0 110.807 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -35.69 58.98 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.728 1.252 . . . . 0.0 112.932 -172.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mt -50.01 -50.19 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 110.931 -2.849 . . . . 0.0 110.91 155.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.88 -28.7 70.02 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 125.127 1.517 . . . . 0.0 113.439 -171.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' A' ' 37' ' ' ILE . . . -73.97 -28.75 61.63 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.595 0.559 . . . . 0.0 111.257 171.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.36 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 116.797 -1.961 . . . . 0.0 113.228 165.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.79 -40.0 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.897 174.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -77.08 -50.31 13.35 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 113.553 -1.658 . . . . 0.0 111.353 -168.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 35' ' ' VAL . 12.6 p -100.32 -26.09 14.01 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 125.756 1.91 . . . . 0.0 114.907 -173.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 86.15 74.59 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.222 0 O-C-N 125.583 1.802 . . . . 0.0 109.992 172.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 142.21 55.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 109.758 -3.383 . . . . 0.0 111.866 -176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -90.25 -27.58 19.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 112.598 -2.092 . . . . 0.0 109.533 156.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.29 2.6 pt? -140.47 145.01 36.37 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 122.913 1.339 . . . . 0.0 113.143 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD22 ' A' ' 88' ' ' LEU . 17.3 mt -128.93 127.03 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 111.531 -2.577 . . . . 0.0 107.409 175.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -109.49 137.72 46.92 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 112.227 -2.261 . . . . 0.0 108.149 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.65 121.79 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 111.267 -2.697 . . . . 0.0 105.076 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -110.93 114.47 27.83 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.809 -1.996 . . . . 0.0 108.969 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -100.49 109.96 22.11 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 113.372 -1.74 . . . . 0.0 108.615 -158.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.348 0.525 0 CA-C-N 110.462 -3.063 . . . . 0.0 108.057 169.816 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.188 0 N-CA-C 109.844 -1.303 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.11 -37.76 33.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.216 -1.492 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.9 -44.51 51.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 112.818 -1.992 . . . . 0.0 110.599 -166.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 11' ' ' ILE . 14.1 t70 -77.43 -56.06 4.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.831 1.332 . . . . 0.0 111.554 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -63.79 -25.76 68.32 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.577 -163.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -59.54 111.82 1.55 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.224 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.77 25.36 69.86 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 113.734 -1.575 . . . . 0.0 113.267 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.47 -25.72 57.62 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.892 0.995 . . . . 0.0 110.814 155.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -42.23 99.34 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 118.234 -1.387 . . . . 0.0 109.524 168.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.346 12.1 tm-20 -77.61 -26.36 50.59 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 177.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -76.28 -29.21 57.32 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 126.145 2.153 . . . . 0.0 112.415 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.12 -34.43 56.67 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.826 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -67.87 -39.27 83.77 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 111.213 -2.721 . . . . 0.0 110.337 170.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.0 OUTLIER -72.52 -29.91 64.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 111.032 -2.804 . . . . 0.0 111.591 -177.565 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 0.98 11.48 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.624 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.03 35.28 44.72 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.3 mt -137.2 48.24 2.07 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 111.752 -2.224 . . . . 0.0 107.92 -175.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 114.41 23.82 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.71 171.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.92 -26.11 1.29 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-N 112.12 -2.309 . . . . 0.0 108.161 -168.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.487 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -67.99 124.88 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 111.919 -2.141 . . . . 0.0 109.795 165.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -87.89 139.4 30.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 111.161 -2.745 . . . . 0.0 107.686 160.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 58' ' ' ILE . 13.8 mt -109.86 141.01 43.15 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 122.986 1.374 . . . . 0.0 111.153 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -107.57 142.49 37.41 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 110.127 -3.215 . . . . 0.0 106.572 166.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 123.73 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 112.947 -1.933 . . . . 0.0 106.415 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 151.83 22.42 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.463 -170.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -149.57 18.16 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 112.594 -1.803 . . . . 0.0 109.608 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -88.54 84.19 6.77 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 168.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.92 -30.59 6.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 112.059 -2.337 . . . . 0.0 111.571 -162.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.443 -0.784 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 159.127 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.26 8.6 m-90 . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.02 -40.31 67.99 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 115.049 1.134 . . . . 0.0 115.049 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.07 -42.46 23.64 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.506 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.57 -59.21 3.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.087 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.85 -27.86 69.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.54 -1.209 . . . . 0.0 113.099 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -56.72 -39.49 74.01 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 117.665 -1.614 . . . . 0.0 112.339 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -53.32 8.8 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.387 1.054 . . . . 0.0 111.521 -175.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -75.13 -35.57 61.68 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.913 -1.494 . . . . 0.0 112.309 -169.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -75.82 -28.71 58.4 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.968 1.417 . . . . 0.0 111.477 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.29 -29.72 69.01 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 124.138 0.899 . . . . 0.0 111.671 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.4 mmt -69.24 -66.59 0.56 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.657 1.223 . . . . 0.0 109.063 164.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 144.55 44.91 0.04 OUTLIER Glycine 0 C--N 1.351 1.379 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.225 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -81.12 146.15 30.71 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.774 -1.713 . . . . 0.0 108.259 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.27 -45.65 17.55 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.1 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -145.03 146.81 32.04 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.527 1.142 . . . . 0.0 112.0 -163.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.9 t -123.3 113.97 39.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.688 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -87.95 147.2 40.34 Favored Pre-proline 0 C--N 1.36 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.723 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.59 179.19 0.19 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.693 2.262 . . . . 0.0 114.18 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.43 117.68 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 121.369 1.38 . . . . 0.0 109.304 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.81 70.17 1.33 Allowed Glycine 0 C--N 1.35 1.338 0 CA-C-N 113.356 -1.747 . . . . 0.0 110.746 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.48 40.31 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.023 -2.088 . . . . 0.0 109.502 -175.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -55.49 155.05 10.81 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 112.722 -2.036 . . . . 0.0 109.778 161.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.13 -11.13 9.95 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 120.566 0.844 . . . . 0.0 113.393 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.93 -29.79 70.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -71.82 -35.97 70.08 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.312 177.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.44 -36.1 39.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 126.024 2.078 . . . . 0.0 108.865 -170.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.8 mt -75.13 -39.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 111.382 -2.644 . . . . 0.0 110.455 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.41 63.97 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.169 1.543 . . . . 0.0 110.956 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.7 t0 -65.14 -52.29 56.04 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.412 173.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 12.1 ptp -66.88 -28.85 68.66 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.5 -57.0 12.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 114.451 -1.249 . . . . 0.0 109.373 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.15 -49.99 74.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 112.919 -1.946 . . . . 0.0 114.092 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.51 -47.07 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.279 -1.782 . . . . 0.0 112.145 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 63.6 mt -82.45 -4.63 57.78 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.93 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 73.9 0.93 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.66 165.3 14.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.299 -1.951 . . . . 0.0 107.025 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 113.342 -1.754 . . . . 0.0 108.315 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -100.68 109.75 21.81 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 112.635 -2.075 . . . . 0.0 106.396 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 53' ' ' THR . 24.1 m -89.48 137.21 32.52 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 125.497 1.748 . . . . 0.0 107.111 166.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.93 122.81 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 110.232 -3.167 . . . . 0.0 102.665 162.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.6 t -99.8 137.29 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.262 -3.608 . . . . 0.0 102.097 176.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 4.1 pp -132.23 129.29 39.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 116.572 -2.051 . . . . 0.0 107.851 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.59 145.14 15.93 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.503 163.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.72 120.67 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.582 HG21 ' SG ' ' A' ' 71' ' ' CYS . 3.4 tt -96.77 117.76 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 112.527 -2.124 . . . . 0.0 106.342 -169.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.145 0 CA-C-N 111.825 -2.443 . . . . 0.0 112.428 -171.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 m170 . . . . . 0 CA--C 1.534 0.363 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -72.67 -33.21 66.38 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.155 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.6 m-30 -76.16 -38.21 56.96 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.671 1.232 . . . . 0.0 110.369 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -34.25 77.91 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.019 -1.901 . . . . 0.0 110.041 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -73.97 -20.57 60.31 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.541 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.43 -0.45 37.22 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.696 0.622 . . . . 0.0 111.079 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.67 20.47 73.98 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.618 -171.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.94 155.54 19.45 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.691 -1.604 . . . . 0.0 106.847 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -77.77 109.25 11.62 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 165.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.0 112.16 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 113.518 -1.674 . . . . 0.0 108.956 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.83 110.57 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 110.747 -2.933 . . . . 0.0 104.903 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 97.77 10.97 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -80.99 -36.33 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.216 -165.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.99 -176.79 22.21 Favored Glycine 0 C--N 1.355 1.619 0 CA-C-N 114.063 -1.426 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.24 117.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 113.147 -1.526 . . . . 0.0 109.931 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.19 100.48 0.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.111 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.8 t -53.79 108.48 0.36 Allowed 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.768 1.292 . . . . 0.0 113.029 -172.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.96 108.23 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 O-C-N 125.475 1.734 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -47.97 -51.61 23.01 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.802 -1.999 . . . . 0.0 111.625 160.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.26 -29.47 61.14 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.97 1.419 . . . . 0.0 112.784 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.18 -42.6 62.55 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -76.36 -37.36 57.37 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.05 1.405 . . . . 0.0 112.846 -174.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.7 -34.85 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 110.418 -3.083 . . . . 0.0 112.0 161.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.52 -35.17 73.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.909 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.859 ' O ' HG22 ' A' ' 53' ' ' THR . . . -64.07 -28.94 70.13 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 116.084 -1.912 . . . . 0.0 111.534 166.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.747 1.158 . . . . 0.0 113.831 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.2 -37.06 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.014 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -76.56 -50.93 12.67 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.36 -1.745 . . . . 0.0 112.373 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 5' ' ' THR . 1.2 t -83.78 -38.19 21.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.037 -170.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 53' ' ' THR . 50.3 mttp 83.25 84.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.765 0 CA-C-N 111.174 -2.739 . . . . 0.0 109.446 -164.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -79.92 134.54 36.29 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -90.35 -23.92 20.98 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.917 1.385 . . . . 0.0 110.312 159.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.316 2.7 pt? -140.46 144.97 36.35 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 123.116 1.436 . . . . 0.0 112.832 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 22.9 mt -128.04 118.68 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 110.592 -3.004 . . . . 0.0 107.111 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 8' ' ' LEU . 25.3 p -115.51 114.9 25.62 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.679 1.237 . . . . 0.0 111.434 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.08 121.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.396 -2.184 . . . . 0.0 106.638 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.4 t -115.27 112.79 22.97 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.968 1.417 . . . . 0.0 109.444 -176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 152.5 20.4 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.148 -1.842 . . . . 0.0 108.22 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 CA--C 1.543 0.693 0 O-C-N 125.623 1.827 . . . . 0.0 110.587 -179.609 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 CA-C-O 122.413 1.007 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.85 -31.04 61.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.171 -2.015 . . . . 0.0 110.089 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mm -91.05 -44.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.861 -167.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -77.64 -56.11 4.79 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.318 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.582 ' SG ' HG21 ' A' ' 11' ' ' ILE . 13.1 m -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.239 1.587 . . . . 0.0 113.073 -158.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -69.4 131.12 44.29 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.282 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.537 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 93.68 18.75 36.89 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 112.707 -2.042 . . . . 0.0 112.338 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -75.54 -25.82 57.49 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.724 0.896 . . . . 0.0 111.196 157.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -58.57 -51.81 68.32 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.288 0.992 . . . . 0.0 109.402 172.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.44 27.5 tt0 -77.56 -26.26 50.72 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 177.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.342 29.4 ttmt -76.14 -29.21 57.72 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 125.175 1.547 . . . . 0.0 113.097 168.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.02 -35.85 56.66 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 122.98 1.371 . . . . 0.0 109.845 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.44 -43.83 98.17 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 110.78 -2.918 . . . . 0.0 110.31 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.306 0.0 OUTLIER -73.06 -30.02 63.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 110.256 -3.156 . . . . 0.0 112.391 -176.409 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 1.01 11.56 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.701 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.97 35.43 44.59 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 86' ' ' ILE . 78.9 mt -141.0 54.35 1.57 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 111.597 -2.302 . . . . 0.0 107.761 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 115.22 27.16 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.521 -2.127 . . . . 0.0 108.726 172.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.92 -22.47 2.13 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 111.916 -2.402 . . . . 0.0 108.114 -167.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -68.16 124.94 24.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 111.956 -2.122 . . . . 0.0 109.359 167.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -88.92 148.86 23.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 111.197 -2.729 . . . . 0.0 108.049 159.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.545 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 57.1 mt -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.733 -170.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -107.73 153.24 23.24 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.182 -2.281 . . . . 0.0 106.887 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.25 123.84 34.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.26 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.72 152.1 18.14 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.248 -168.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 -146.27 18.13 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 113.35 -1.425 . . . . 0.0 112.14 167.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -85.45 75.92 10.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 112.658 -1.771 . . . . 0.0 107.822 169.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -24.92 28.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.359 -2.201 . . . . 0.0 111.39 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.1 t . . . . . 0 C--N 1.352 0.71 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 171.049 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.301 3.0 m-90 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.62 -39.71 87.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 120.562 1.237 . . . . 0.0 114.301 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.01 -38.89 31.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.197 -2.274 . . . . 0.0 111.773 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.08 -44.93 27.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.697 1.248 . . . . 0.0 111.75 -169.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -70.87 -27.97 64.22 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.139 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -61.64 -42.36 98.78 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.632 169.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.96 -51.51 18.12 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.992 -1.458 . . . . 0.0 111.849 -169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -75.0 -32.45 61.65 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.289 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -78.13 -28.9 48.56 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.622 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.02 67.41 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.681 1.238 . . . . 0.0 110.719 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.537 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -74.55 -43.14 57.15 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.277 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.5 -41.59 0.24 Allowed Glycine 0 C--N 1.355 1.592 0 C-N-CA 119.187 -1.482 . . . . 0.0 112.835 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -49.52 146.44 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 122.387 1.089 . . . . 0.0 113.056 -171.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -79.32 -50.53 10.74 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 112.793 -2.003 . . . . 0.0 109.946 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -145.28 151.11 37.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.355 -164.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.0 t -123.34 122.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.721 1.888 . . . . 0.0 110.324 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE2' HG23 ' A' ' 126' ' ' THR . 30.3 m-85 -98.66 147.1 32.71 Favored Pre-proline 0 C--N 1.361 1.104 0 O-C-N 124.241 0.963 . . . . 0.0 111.242 165.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -66.04 -176.84 0.67 Allowed 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.302 2.002 . . . . 0.0 113.781 171.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.25 125.33 1.83 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.935 2.423 . . . . 0.0 110.635 164.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.91 48.71 6.41 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 137.66 32.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.881 -2.159 . . . . 0.0 108.804 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.32 147.0 8.08 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.608 158.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.04 -13.81 8.89 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 O-C-N 122.878 0.936 . . . . 0.0 113.346 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.67 -29.67 69.74 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.22 -40.22 90.14 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.872 -1.513 . . . . 0.0 112.489 176.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 4.9 m -79.43 -34.97 41.19 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 126.077 2.111 . . . . 0.0 109.341 -170.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -41.78 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.919 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.45 -31.73 63.97 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.09 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 64.4 t0 -64.82 -47.48 77.84 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 116.78 -1.968 . . . . 0.0 112.453 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 13.6 ptp -68.42 -28.89 67.48 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.43 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.67 -53.36 55.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.134 0.968 . . . . 0.0 109.722 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.07 -51.71 68.89 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.3 -2.227 . . . . 0.0 113.938 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.95 -39.37 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.257 -174.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.9 mt -86.46 -5.49 59.15 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.442 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.22 72.34 0.99 Allowed Glycine 0 C--N 1.355 1.615 0 O-C-N 124.491 1.119 . . . . 0.0 110.755 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.0 t -138.43 154.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 CA-C-N 112.383 -1.908 . . . . 0.0 107.779 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 111.669 -2.514 . . . . 0.0 109.346 -168.289 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.95 109.78 21.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.814 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.9 m -93.28 142.06 27.74 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 111.476 -2.602 . . . . 0.0 106.857 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 57' ' ' LEU . 1.1 mt -124.92 149.34 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.685 0 CA-C-N 109.851 -3.34 . . . . 0.0 103.557 173.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -130.04 125.38 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 CA-C-N 109.097 -3.683 . . . . 0.0 103.068 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.5 129.23 52.8 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 162.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.11 15.93 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.477 -2.147 . . . . 0.0 107.809 166.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.8 t -98.03 120.72 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -96.85 140.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 111.738 -2.483 . . . . 0.0 109.569 -169.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.105 0 CA-C-N 110.355 -3.111 . . . . 0.0 108.21 -174.377 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 m80 . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.129 0.49 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -63.18 -46.83 85.27 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.977 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.78 -39.35 66.82 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 125.061 1.476 . . . . 0.0 109.373 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -24.77 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 111.795 -2.457 . . . . 0.0 111.779 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -114.03 25.71 10.92 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.583 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.5 6.04 49.57 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.55 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.89 25.64 74.4 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.767 -1.561 . . . . 0.0 111.308 -172.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -99.78 161.09 13.82 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.99 107.19 13.59 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 161.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 32' ' ' PHE . 15.0 t -127.11 139.15 52.71 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 114.219 -1.355 . . . . 0.0 108.027 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.52 110.69 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 111.382 -2.644 . . . . 0.0 106.728 -170.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.93 97.64 10.35 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.55 -1.659 . . . . 0.0 106.847 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.542 HD13 ' C ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.28 -42.15 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 112.769 -2.014 . . . . 0.0 111.413 -175.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.65 129.73 1.15 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 116.117 -2.945 . . . . 0.0 112.412 -171.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.58 142.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.746 -2.227 . . . . 0.0 106.964 165.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.91 56.42 0.22 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 125.338 1.648 . . . . 0.0 107.78 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 m -156.91 -169.76 3.07 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 111.556 -2.566 . . . . 0.0 107.504 -163.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -161.72 170.82 18.95 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 123.102 1.43 . . . . 0.0 111.683 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HB2' HD13 ' A' ' 74' ' ' LEU . 3.0 pt20 -51.25 -28.88 12.86 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 110.972 -2.831 . . . . 0.0 116.852 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.49 -37.16 84.91 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.321 1.013 . . . . 0.0 111.497 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.46 -23.26 30.0 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.104 -1.862 . . . . 0.0 111.448 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.473 ' CD1' HD12 ' A' ' 37' ' ' ILE . 1.3 m-30 -76.45 -32.98 58.75 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-O 123.302 1.525 . . . . 0.0 113.037 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.474 HG13 ' SG ' ' A' ' 78' ' ' CYS . 1.3 mt -49.69 -48.06 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 109.935 -3.302 . . . . 0.0 109.685 160.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.94 -28.82 67.8 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.026 1.454 . . . . 0.0 112.945 -174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.88 61.59 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.891 0.744 . . . . 0.0 110.983 172.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.46 64.57 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 115.198 -2.601 . . . . 0.0 112.375 168.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.65 -40.4 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.025 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -77.04 -50.49 12.98 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.809 -1.541 . . . . 0.0 112.787 -169.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -99.13 -28.74 13.23 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 125.472 1.732 . . . . 0.0 114.022 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 93.47 63.61 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 O-C-N 126.009 2.068 . . . . 0.0 110.98 170.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -88.1 134.19 33.82 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 110.36 -3.109 . . . . 0.0 111.505 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -89.72 -31.8 17.3 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.661 168.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.657 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.1 mp -91.73 136.43 33.15 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.457 169.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.5 mt -132.18 124.2 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 110.001 -3.272 . . . . 0.0 108.242 156.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.0 m -115.14 114.76 25.72 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.408 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.92 121.59 53.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 112.367 -2.197 . . . . 0.0 105.687 177.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.16 112.83 23.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.012 -1.904 . . . . 0.0 108.217 -172.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 m -101.38 133.11 46.48 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.901 -165.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.351 0.653 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.896 171.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.5 -27.97 69.52 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 112.608 -1.796 . . . . 0.0 112.005 170.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 -44.49 16.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.525 -173.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.45 -56.32 4.64 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.99 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 m -59.33 -25.97 64.64 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.466 -165.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -59.22 111.73 1.46 Allowed 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.656 1.222 . . . . 0.0 111.931 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . . . 80.37 33.11 32.68 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 112.143 -2.299 . . . . 0.0 111.289 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 43' ' ' GLN . 29.7 tp -75.78 -32.38 59.89 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 125.482 1.342 . . . . 0.0 112.914 164.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -47.78 83.41 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.106 174.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' ASP 0.465 15.7 tt0 -77.44 -26.3 51.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 175.48 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.309 62.1 tttp -75.99 -29.07 58.07 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 125.011 1.444 . . . . 0.0 113.064 169.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.551 ' CB ' HG21 ' A' ' 86' ' ' ILE . 87.5 m -77.32 -41.75 39.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 125.095 1.497 . . . . 0.0 110.751 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 12.9 t70 -57.64 -45.91 84.85 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 110.115 -3.22 . . . . 0.0 108.463 171.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.295 35.9 mt-10 -73.05 -29.59 63.08 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 110.343 -3.117 . . . . 0.0 112.548 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.68 4.5 4.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.566 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.13 35.14 15.8 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.299 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -100.24 -116.63 0.16 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.795 -1.702 . . . . 0.0 107.361 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.262 6.8 mptt -108.94 -157.28 0.61 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-O 122.97 1.367 . . . . 0.0 110.67 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.04 53.21 1.06 Allowed Glycine 0 N--CA 1.437 -1.297 1 N-CA-C 102.107 -4.397 . . . . 0.0 102.107 152.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.551 HG21 ' CB ' ' A' ' 78' ' ' CYS 0.308 3.7 tt -63.65 124.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 109.749 -3.225 . . . . 0.0 110.71 -166.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.9 mttm -88.01 117.02 26.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 109.857 -3.338 . . . . 0.0 108.385 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.65 HD22 ' HB ' ' A' ' 58' ' ' ILE . 6.2 mt -113.5 143.33 44.7 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 111.796 -2.456 . . . . 0.0 108.205 -173.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -107.9 143.03 37.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 110.602 -2.999 . . . . 0.0 105.602 169.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.12 123.59 34.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.66 152.02 23.53 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 118.277 -1.916 . . . . 0.0 113.219 -164.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.08 90.7 0.23 Allowed Glycine 0 C--N 1.353 1.481 0 CA-C-N 110.972 -2.614 . . . . 0.0 112.38 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 52.52 70.51 0.56 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 125.376 1.28 . . . . 0.0 111.748 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -103.33 -45.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.015 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.359 0.996 0 O-C-N 124.927 1.392 . . . . 0.0 113.325 172.644 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.418 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.509 1.5 m-90 . . . . . 0 C--O 1.221 -0.413 0 N-CA-C 121.109 3.744 . . . . 0.0 121.109 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.55 -31.67 32.26 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 CA-C-N 120.955 1.377 . . . . 0.0 115.514 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -80.06 -45.51 18.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 112.779 -2.01 . . . . 0.0 111.575 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.53 -55.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 124.775 1.297 . . . . 0.0 110.829 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.28 -45.59 72.52 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.666 1.229 . . . . 0.0 112.53 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -55.54 -49.4 72.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 119.054 -1.058 . . . . 0.0 112.391 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -78.06 -53.0 7.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 113.268 -1.787 . . . . 0.0 112.09 -168.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.84 -46.01 86.99 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.238 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -72.23 -33.43 67.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 113.816 -1.538 . . . . 0.0 112.066 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.79 92.89 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.689 1.243 . . . . 0.0 112.273 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.41 ' HE1' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -89.6 -1.62 58.08 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.725 -174.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.13 -75.8 0.08 OUTLIER Glycine 0 C--N 1.354 1.533 0 C-N-CA 118.458 -1.83 . . . . 0.0 111.724 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -48.85 146.12 3.43 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 123.023 1.392 . . . . 0.0 113.735 -163.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -59.09 2.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 111.553 -2.567 . . . . 0.0 109.316 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -145.12 154.89 42.94 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.838 -1.528 . . . . 0.0 109.742 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HE1' ' A' ' 101' ' ' TRP . 15.0 t -123.29 136.93 58.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.452 171.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.34 116.77 66.79 Favored Pre-proline 0 C--N 1.358 0.951 0 O-C-N 124.429 1.081 . . . . 0.0 111.688 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.18 127.69 26.7 Favored 'Trans proline' 0 C--N 1.373 1.854 0 O-C-N 123.165 1.087 . . . . 0.0 112.399 164.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.3 112.87 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 121.13 1.22 . . . . 0.0 111.372 -170.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.47 -6.14 3.56 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-N 111.947 -2.388 . . . . 0.0 111.709 -169.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 m -76.03 137.02 39.95 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 121.879 0.847 . . . . 0.0 109.537 -179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 p -69.55 162.56 66.18 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 112.397 -2.183 . . . . 0.0 109.345 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -80.81 -9.94 13.06 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 120.708 0.939 . . . . 0.0 113.985 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -29.85 69.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 124.015 0.822 . . . . 0.0 110.399 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -72.56 -34.65 67.65 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 113.682 -1.599 . . . . 0.0 112.601 175.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.4 m -79.7 -33.21 41.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 126.678 2.486 . . . . 0.0 109.023 -172.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.15 -37.69 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 112.138 -2.301 . . . . 0.0 109.785 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.85 64.37 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.947 -1.478 . . . . 0.0 110.925 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.8 t0 -61.6 -55.27 32.54 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.505 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 6' ' ' ILE . 20.2 ptp -63.7 -39.77 95.14 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.311 1.007 . . . . 0.0 111.493 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.88 -55.34 23.46 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.471 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.04 -34.26 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.27 -1.332 . . . . 0.0 114.137 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.63 -39.17 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.421 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.5 mt -91.5 7.88 39.13 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 124.07 0.856 . . . . 0.0 111.866 -169.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 82.43 52.41 3.98 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.285 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.57 165.11 10.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 112.203 -1.998 . . . . 0.0 106.259 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 CA--C 1.548 0.902 0 O-C-N 124.596 1.185 . . . . 0.0 111.271 174.22 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.07 116.66 32.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.044 -1.889 . . . . 0.0 107.952 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -90.94 134.93 34.08 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 112.592 -2.095 . . . . 0.0 106.853 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 149.47 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 C-N-CA 130.318 3.447 . . . . 0.0 103.828 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 37' ' ' ILE 0.272 1.6 t -124.67 143.07 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 CA-C-N 108.723 -3.853 . . . . 0.0 104.144 -175.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.1 pp -132.23 128.78 38.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 115.136 -2.625 . . . . 0.0 110.187 156.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.94 143.3 14.8 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 111.493 -2.594 . . . . 0.0 108.228 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 39' ' ' VAL . 21.9 t -97.68 121.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 117.257 -1.777 . . . . 0.0 106.568 -177.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -105.54 127.52 60.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.766 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.099 0 CA-C-N 112.632 -2.076 . . . . 0.0 109.199 179.722 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -157.37 18.37 0.28 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.832 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.19 -44.51 1.59 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.751 -1.568 . . . . 0.0 106.965 154.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -32.54 74.07 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.017 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -76.65 11.0 1.83 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.419 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 -0.46 50.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.152 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.32 30.01 67.64 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.059 -168.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -93.45 153.37 18.52 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 118.721 -1.192 . . . . 0.0 107.836 -177.421 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.77 104.71 9.57 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 165.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 32' ' ' PHE . 61.8 t -120.09 129.22 75.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.49 -174.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.85 110.99 29.02 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.586 -165.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -86.01 117.37 24.81 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.831 -1.986 . . . . 0.0 108.648 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.572 HD11 HG13 ' A' ' 7' ' ' VAL . 7.8 mm -81.82 -37.54 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 111.25 -2.704 . . . . 0.0 110.092 -172.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.82 -171.54 15.1 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.072 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' HA ' ' HB ' ' A' ' 10' ' ' VAL . 13.9 p -109.11 132.07 58.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 112.696 -1.752 . . . . 0.0 109.009 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -163.97 -132.12 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.386 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -179.5 76.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 160.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -167.66 104.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.834 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.4 -28.95 70.14 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 112.021 -2.354 . . . . 0.0 114.636 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.47 -16.94 64.15 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 125.081 1.488 . . . . 0.0 111.962 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -83.66 -37.5 22.72 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . 0.255 0.0 OUTLIER -76.07 -27.65 57.32 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 118.472 -1.291 . . . . 0.0 113.306 -178.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -55.31 -41.12 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-N 111.045 -2.798 . . . . 0.0 112.391 158.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -69.4 -28.96 66.62 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.083 0.864 . . . . 0.0 110.869 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.65 -28.83 62.97 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.008 167.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -69.38 -30.37 68.35 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 115.833 -2.347 . . . . 0.0 113.792 168.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.18 -42.57 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.931 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -77.05 -50.39 13.2 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.885 -168.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.8 p -93.74 -27.05 16.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.092 -171.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.6 mttt 100.01 44.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 126.544 2.402 . . . . 0.0 110.056 167.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -65.0 122.93 18.17 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.525 -2.58 . . . . 0.0 110.562 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.75 -22.66 34.3 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 126.333 2.271 . . . . 0.0 109.033 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 2.4 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 123.367 1.556 . . . . 0.0 112.925 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 78' ' ' CYS . 33.4 mt -123.64 112.39 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 110.283 -3.144 . . . . 0.0 108.127 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 53.0 t -115.1 114.51 25.43 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 125.227 1.579 . . . . 0.0 109.814 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.18 148.17 7.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.2 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.87 112.72 25.81 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.737 -2.029 . . . . 0.0 106.754 164.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.6 p -100.98 122.11 42.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.634 -2.075 . . . . 0.0 107.47 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.95 179.549 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -80.22 -31.79 38.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.904 -1.648 . . . . 0.0 111.402 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.172 -166.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -77.08 -53.19 8.09 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.675 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 97.4 m -55.27 -25.85 36.42 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.962 1.414 . . . . 0.0 114.68 -168.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.56 111.68 1.69 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 123.917 0.761 . . . . 0.0 109.544 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.55 27.41 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 113.221 -1.808 . . . . 0.0 112.0 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -33.67 60.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.625 0.838 . . . . 0.0 110.894 158.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -60.48 -39.67 88.49 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 124.694 1.246 . . . . 0.0 109.918 167.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.277 22.6 mt-10 -77.63 -26.57 50.62 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 14.1 mptt -76.37 -29.4 57.15 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 125.651 1.844 . . . . 0.0 112.729 166.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 58' ' ' ILE . 94.8 m -77.05 -37.05 55.47 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 125.418 1.699 . . . . 0.0 110.923 173.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.77 -42.5 86.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 110.393 -3.094 . . . . 0.0 109.338 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.313 24.4 mm-40 -73.26 -29.79 63.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 109.787 -3.369 . . . . 0.0 113.046 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.5 23.78 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.385 -1.734 . . . . 0.0 112.878 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 39.13 34.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -141.37 33.23 1.68 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 111.623 -2.288 . . . . 0.0 109.987 -170.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -75.6 115.09 14.91 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.145 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.14 -29.74 0.98 Allowed Glycine 0 C--N 1.345 1.08 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.802 -172.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.9 124.94 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 111.746 -2.227 . . . . 0.0 110.814 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.85 138.53 31.37 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 109.23 -3.623 . . . . 0.0 107.598 171.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD22 ' HB ' ' A' ' 58' ' ' ILE . 22.0 mt -123.09 133.38 54.3 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.55 -166.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 13.1 m-30 -107.69 137.44 45.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 109.786 -3.37 . . . . 0.0 107.659 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.19 123.96 34.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.867 -1.969 . . . . 0.0 107.505 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.2 150.79 20.09 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 119.415 -1.374 . . . . 0.0 113.703 -164.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.66 -130.51 9.84 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-N 110.661 -2.77 . . . . 0.0 110.913 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -87.48 79.82 8.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.249 -1.476 . . . . 0.0 109.846 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.9 pt -79.48 -35.26 16.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.138 -2.301 . . . . 0.0 110.939 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--N 1.35 0.605 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -178.749 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.581 1.4 m-90 . . . . . 0 CA--C 1.537 0.474 0 N-CA-C 119.787 3.254 . . . . 0.0 119.787 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.55 -37.68 34.36 Favored 'Trans proline' 0 CA--C 1.554 1.491 0 CA-C-N 120.973 1.383 . . . . 0.0 114.85 168.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.26 -45.33 18.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.833 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.8 t -75.14 -36.01 36.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 124.563 1.164 . . . . 0.0 111.283 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.12 -34.26 63.84 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.169 173.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.37 -37.87 79.02 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.504 -1.279 . . . . 0.0 111.324 171.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -73.27 -53.03 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.984 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.09 -43.83 50.76 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.458 -169.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -71.25 -28.69 64.35 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.199 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.91 71.95 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.423 1.077 . . . . 0.0 112.515 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.7 mmt -66.72 -41.08 88.52 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.939 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.88 -14.98 0.34 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.141 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -50.98 129.73 24.2 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 122.512 1.149 . . . . 0.0 112.73 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -42.46 78.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 111.576 -2.556 . . . . 0.0 110.526 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -145.25 136.7 25.17 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.008 -1.905 . . . . 0.0 108.658 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.31 113.63 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.886 1.366 . . . . 0.0 109.812 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.56 133.57 23.49 Favored Pre-proline 0 N--CA 1.481 1.118 0 O-C-N 124.546 1.154 . . . . 0.0 112.382 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.76 177.63 2.2 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 121.471 1.447 . . . . 0.0 114.905 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.55 121.06 9.26 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.108 1.872 . . . . 0.0 113.915 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.11 4.81 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.449 -1.705 . . . . 0.0 112.575 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -102.13 137.1 40.85 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.91 -1.645 . . . . 0.0 108.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 p -63.19 134.88 95.98 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-N 113.734 -1.575 . . . . 0.0 109.485 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.27 9.9 Cg_endo -69.92 -9.16 25.38 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 121.33 1.353 . . . . 0.0 115.369 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.77 -29.65 70.84 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.314 164.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -31.64 72.94 Favored 'General case' 0 CA--C 1.501 -0.935 0 O-C-N 123.96 0.788 . . . . 0.0 112.255 169.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.2 m -79.35 -30.93 42.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 126.242 2.214 . . . . 0.0 108.792 -173.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.42 -38.55 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 O-C-N 125.877 1.986 . . . . 0.0 110.109 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.85 66.61 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.462 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 68.9 m-20 -65.14 -55.36 19.16 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 115.931 -2.308 . . . . 0.0 113.205 172.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -73.61 -28.95 62.08 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 112.204 -170.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -68.36 -57.23 6.22 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.993 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -66.07 -37.18 85.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.131 -1.395 . . . . 0.0 114.017 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.92 -39.07 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 114.425 -1.261 . . . . 0.0 112.442 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.3 mt -86.62 5.73 34.4 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.153 0.908 . . . . 0.0 112.356 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.65 61.39 2.94 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 122.113 0.84 . . . . 0.0 111.299 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -151.79 160.95 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 112.097 -2.051 . . . . 0.0 106.9 -173.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 CA--C 1.541 0.616 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.077 176.393 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mttt . . . . . 0 C--O 1.225 -0.226 0 CA-C-O 123.511 1.624 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.41 110.62 21.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 109.413 -3.54 . . . . 0.0 109.002 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.422 ' CG2' HG23 ' A' ' 7' ' ' VAL . 47.2 m -82.14 115.95 21.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.678 -2.055 . . . . 0.0 107.805 170.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -105.78 137.32 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 104.416 -2.439 . . . . 0.0 104.416 161.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 35' ' ' VAL 0.29 1.3 t -130.13 116.76 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.941 1 CA-C-N 108.112 -4.131 . . . . 0.0 102.98 -168.023 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.7 pp -130.98 129.38 42.02 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 117.19 -1.804 . . . . 0.0 109.313 -175.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.65 145.52 16.05 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 126.574 2.421 . . . . 0.0 108.466 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.69 125.41 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -96.5 117.88 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 112.652 -2.067 . . . . 0.0 106.213 178.049 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.347 1.166 0 CA-C-N 110.027 -3.261 . . . . 0.0 109.561 -173.428 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 . . . . . 0 C--O 1.222 -0.368 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -87.04 62.72 7.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.579 167.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -175.97 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.439 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -44.93 94.09 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 112.576 -2.102 . . . . 0.0 110.32 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -89.37 25.12 2.01 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 112.467 -2.152 . . . . 0.0 111.33 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 7.72 45.8 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.289 167.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.04 25.36 64.39 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-N 113.837 -1.529 . . . . 0.0 111.609 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.01 149.76 27.21 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -77.93 104.63 8.6 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 163.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -121.58 134.49 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 112.606 -2.088 . . . . 0.0 107.187 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -130.81 135.69 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 111.151 -2.749 . . . . 0.0 106.304 -171.077 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -104.12 106.34 16.81 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.072 -1.876 . . . . 0.0 106.783 171.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.74 -23.73 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.953 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.06 179.35 21.98 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.336 173.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -92.5 117.93 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 111.612 -2.294 . . . . 0.0 108.482 -174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.39 139.52 3.96 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 112.934 -1.939 . . . . 0.0 106.587 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.31 73.52 5.93 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.186 171.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -170.38 121.74 0.63 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 118.053 -1.459 . . . . 0.0 114.182 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -47.89 -55.14 10.53 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 114.909 164.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -64.71 -18.16 64.76 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.763 -172.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.42 -37.63 36.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.799 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.29 -37.72 57.12 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.328 1.537 . . . . 0.0 112.218 -177.005 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.67 -37.05 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.497 -3.501 . . . . 0.0 111.955 160.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -66.7 -28.81 68.74 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.344 1.028 . . . . 0.0 112.223 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.08 -28.26 61.3 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 167.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -30.32 69.94 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 116.695 -2.002 . . . . 0.0 113.744 161.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -68.42 -42.6 84.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.04 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 -50.24 13.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 124.322 1.014 . . . . 0.0 109.986 -171.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -13.4 18.6 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 126.299 2.249 . . . . 0.0 114.045 -167.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 75.95 72.63 0.08 Allowed 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.955 1.409 . . . . 0.0 110.186 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 144.48 55.11 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 110.973 -2.83 . . . . 0.0 112.297 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.3 -33.0 16.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.264 152.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 134' ' ' LEU 0.3 2.7 pt? -140.53 144.95 36.23 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.037 1.398 . . . . 0.0 113.739 -179.45 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' HB ' HD22 ' A' ' 88' ' ' LEU . 49.0 mt -122.9 110.93 27.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.926 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.1 t -115.31 114.71 25.53 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.284 -173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 46' ' ' PHE . 4.5 m -97.86 148.26 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.599 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.31 112.85 24.39 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.561 -2.108 . . . . 0.0 108.348 176.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 m -100.88 119.13 38.23 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.521 -175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.7 mt . . . . . 0 CA--C 1.539 0.533 0 CA-C-N 112.004 -2.362 . . . . 0.0 108.564 175.461 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.086 0 CA-C-O 122.681 1.156 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -79.79 -29.57 40.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 111.083 -2.558 . . . . 0.0 111.414 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.08 -40.46 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 113.438 -1.71 . . . . 0.0 109.807 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.57 ' HB2' HD13 ' A' ' 11' ' ' ILE . 11.3 t70 -60.6 -52.33 65.63 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.34 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 108' ' ' PHE . 26.0 p -71.33 -35.49 71.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.855 -170.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -69.26 111.92 5.5 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.085 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.55 14.5 75.88 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 112.544 -2.116 . . . . 0.0 113.424 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -75.78 -30.0 58.95 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 159.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 117.659 -1.616 . . . . 0.0 109.52 172.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.366 32.2 tt0 -77.69 -26.67 50.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 118.461 2.763 . . . . 0.0 118.461 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 60.8 mtpt -76.58 -29.57 56.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.981 1.426 . . . . 0.0 112.818 165.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.1 t -77.61 -29.18 51.76 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 125.253 1.596 . . . . 0.0 112.23 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.32 -45.29 63.35 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.688 -2.96 . . . . 0.0 109.215 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.308 24.8 mm-40 -73.11 -29.65 63.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 109.297 -3.592 . . . . 0.0 112.39 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 0.82 12.01 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.801 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.2 33.51 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.3 mt -138.56 32.14 2.29 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 112.038 -2.081 . . . . 0.0 109.631 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 113.06 11.59 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.598 174.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.94 -29.52 0.6 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.783 -2.462 . . . . 0.0 107.979 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.89 127.15 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 111.7 -2.25 . . . . 0.0 110.172 167.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.97 137.39 32.37 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 110.121 -3.218 . . . . 0.0 108.495 160.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.508 HD22 ' HB ' ' A' ' 58' ' ' ILE . 17.8 mt -109.94 136.67 48.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.063 1.411 . . . . 0.0 111.087 -176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.75 148.32 29.62 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 110.754 -2.93 . . . . 0.0 107.839 167.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -136.08 127.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 112.81 -1.995 . . . . 0.0 107.852 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.01 144.1 13.78 Favored Glycine 0 C--N 1.353 1.486 0 C-N-CA 119.359 -1.401 . . . . 0.0 112.562 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.59 -142.52 17.3 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 112.201 -1.999 . . . . 0.0 110.728 172.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.75 81.3 5.8 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.832 -1.684 . . . . 0.0 107.571 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.03 -24.59 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-N 112.747 -2.024 . . . . 0.0 110.732 -166.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.351 0.634 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 167.213 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.482 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.347 1.7 m-90 . . . . . 0 CA--C 1.559 1.311 0 N-CA-C 119.68 3.215 . . . . 0.0 119.68 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.08 -51.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.104 0 CA-C-N 122.123 1.794 . . . . 0.0 111.273 164.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.32 -29.98 38.1 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.07 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.91 -46.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 124.575 1.172 . . . . 0.0 110.514 -170.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -68.63 -40.67 80.19 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.117 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -59.77 -46.2 89.92 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.597 1.185 . . . . 0.0 111.598 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -76.95 -53.02 8.38 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.634 -1.621 . . . . 0.0 110.576 -170.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 12.6 m-30 -70.4 -41.4 73.05 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.448 -1.705 . . . . 0.0 111.562 -168.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -77.19 -38.29 51.82 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.665 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.19 69.76 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.365 1.041 . . . . 0.0 112.115 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.2 mmm -71.0 -54.57 10.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.607 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.15 17.95 0.02 OUTLIER Glycine 0 C--N 1.356 1.644 0 C-N-CA 117.559 -2.258 . . . . 0.0 115.166 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 145.55 30.95 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 122.801 1.286 . . . . 0.0 108.867 169.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -78.29 -57.6 3.7 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 111.583 -2.553 . . . . 0.0 109.446 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.26 152.89 40.66 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 125.092 1.495 . . . . 0.0 110.743 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.482 HG12 ' HE1' ' A' ' 101' ' ' TRP . 38.8 t -123.29 120.2 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 111.974 -2.375 . . . . 0.0 110.398 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -95.6 116.96 66.68 Favored Pre-proline 0 C--N 1.358 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 110.547 170.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -57.29 169.46 2.15 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 120.92 1.08 . . . . 0.0 114.865 167.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -74.37 118.2 5.27 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 120.889 1.059 . . . . 0.0 110.551 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.98 11.51 10.95 Favored Glycine 0 CA--C 1.536 1.362 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.7 m -81.86 137.11 35.3 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 122.42 1.105 . . . . 0.0 109.432 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 p -59.93 164.99 5.15 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 111.598 -2.546 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.13 -10.91 10.03 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 121.317 1.344 . . . . 0.0 113.279 170.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.13 -29.84 60.64 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.268 0.98 . . . . 0.0 110.953 -174.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.56 -35.91 78.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.645 173.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 m -79.45 -31.34 42.49 Favored 'General case' 0 N--CA 1.44 -0.969 0 O-C-N 126.708 2.505 . . . . 0.0 109.004 -171.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.91 -41.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 126.549 2.405 . . . . 0.0 110.318 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.512 -1.676 . . . . 0.0 110.314 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 125' ' ' THR . 66.2 t0 -65.93 -49.06 69.31 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 112.232 -2.258 . . . . 0.0 112.677 171.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.6 ptp -69.19 -28.96 66.86 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 118.993 -1.083 . . . . 0.0 111.808 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.94 -57.24 5.26 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 118.295 -1.362 . . . . 0.0 110.08 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.3 -51.36 59.03 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.004 1.44 . . . . 0.0 113.213 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.78 -47.24 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 110.618 -2.992 . . . . 0.0 112.39 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD22 ' A' ' 57' ' ' LEU . 36.3 mt -93.8 13.11 23.47 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.195 0.934 . . . . 0.0 112.19 -170.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 57.17 4.45 Favored Glycine 0 C--N 1.354 1.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.131 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.49 2.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 112.591 -1.805 . . . . 0.0 113.311 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.549 0.908 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.589 -179.375 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 123.339 1.542 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.71 109.91 21.8 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 109.445 -3.525 . . . . 0.0 107.582 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 55' ' ' ALA . 23.5 m -94.85 119.05 32.78 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 110.907 -2.861 . . . . 0.0 106.943 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -113.34 144.9 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 C-N-CA 129.117 2.967 . . . . 0.0 104.623 169.102 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.267 2.0 t -130.05 130.88 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 108.871 -3.786 . . . . 0.0 104.54 -171.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -132.39 129.4 39.31 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.418 -1.313 . . . . 0.0 109.174 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.09 145.19 15.82 Favored Glycine 0 C--N 1.358 1.802 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.461 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.57 120.93 50.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -96.45 117.73 41.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.089 -157.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.58 0 CA-C-N 111.842 -2.435 . . . . 0.0 112.393 172.522 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 122.162 0.982 . . . . 0.0 109.165 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.2 p -137.1 -50.22 0.64 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.895 -168.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -68.78 -47.76 65.39 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.302 -2.226 . . . . 0.0 108.79 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -43.64 98.46 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.005 -1.907 . . . . 0.0 110.126 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 24.37 0.92 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.123 -2.308 . . . . 0.0 112.271 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 5.16 28.93 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.571 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.72 26.78 70.58 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.538 -173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.406 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.5 m-85 -98.46 153.34 18.67 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -78.0 104.82 8.81 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 32' ' ' PHE . 45.6 t -123.14 123.21 67.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.094 -1.866 . . . . 0.0 108.203 -175.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.93 114.77 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 111.027 -2.806 . . . . 0.0 107.226 -173.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -85.8 105.04 16.03 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 112.824 -1.989 . . . . 0.0 107.327 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.86 -35.33 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 CA-C-N 112.881 -1.963 . . . . 0.0 108.067 168.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.67 -150.04 44.21 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 111.921 -2.4 . . . . 0.0 111.942 163.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.21 170.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 110.94 -2.63 . . . . 0.0 109.633 -169.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt 74.11 40.19 0.46 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.998 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.89 166.59 1.23 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.322 -169.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -144.2 -167.81 2.71 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.437 -2.165 . . . . 0.0 108.368 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.06 65.71 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -165.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.31 -35.11 80.0 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 125.282 1.614 . . . . 0.0 111.465 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.0 -16.82 29.04 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.749 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 4.4 m-30 -76.63 -37.17 56.79 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.671 1.701 . . . . 0.0 111.927 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.84 -41.56 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 109.382 -3.554 . . . . 0.0 111.275 158.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -67.53 -28.76 68.08 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.246 0.966 . . . . 0.0 112.58 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.87 63.15 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.87 0.732 . . . . 0.0 110.496 168.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -70.28 -30.44 67.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 115.745 -2.382 . . . . 0.0 113.369 167.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.43 -37.63 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.09 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -76.94 -50.45 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.2 -1.364 . . . . 0.0 112.176 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 5' ' ' THR . 19.6 p -98.89 -27.6 13.83 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 125.604 1.815 . . . . 0.0 114.53 -172.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 90.76 63.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 125.735 1.897 . . . . 0.0 109.82 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -89.05 122.39 32.34 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 110.969 -2.832 . . . . 0.0 110.68 -172.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.1 -14.85 40.22 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 126.181 2.176 . . . . 0.0 109.417 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.44 HD22 HD11 ' A' ' 134' ' ' LEU . 2.6 pt? -135.47 144.39 46.38 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 124.397 2.046 . . . . 0.0 111.636 163.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.566 ' HB ' HD22 ' A' ' 88' ' ' LEU . 24.1 mt -131.71 125.62 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 108.664 -3.88 . . . . 0.0 107.853 -176.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -115.02 141.2 48.32 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 111.146 -2.752 . . . . 0.0 109.545 -176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.48 140.36 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 111.952 -2.385 . . . . 0.0 106.743 163.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.43 112.87 22.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 170.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -133.48 164.12 27.85 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 123.554 1.645 . . . . 0.0 111.86 -158.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.449 -0.504 0 CA-C-N 109.419 -3.537 . . . . 0.0 111.854 -166.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.532 1.106 0 N-CA-C 111.355 -0.698 . . . . 0.0 111.355 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.12 -27.83 39.08 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.11 -1.045 . . . . 0.0 111.869 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.8 mm -83.92 -44.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.895 -1.502 . . . . 0.0 111.248 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -77.23 -39.61 47.87 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.434 1.084 . . . . 0.0 111.767 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 23.0 p -59.68 -25.77 65.02 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.677 1.235 . . . . 0.0 113.95 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.35 111.74 2.13 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.363 -168.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.79 46.4 17.98 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 112.612 -2.086 . . . . 0.0 111.64 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -75.84 -32.33 59.74 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.822 0.954 . . . . 0.0 112.935 169.153 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.81 -43.41 88.74 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.266 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.509 0.5 OUTLIER -77.32 -26.26 51.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 N-CA-C 118.548 2.796 . . . . 0.0 118.548 176.952 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.373 46.6 tttp -76.02 -28.89 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.787 1.93 . . . . 0.0 112.683 167.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HG ' HD23 ' A' ' 74' ' ' LEU . 98.7 m -69.96 -47.38 62.53 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 123.854 1.788 . . . . 0.0 110.136 170.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.4 -38.64 77.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 108.417 -3.992 . . . . 0.0 110.426 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.1 OUTLIER -73.25 -35.16 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 110.768 -2.924 . . . . 0.0 112.444 179.022 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.18 3.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 111.93 -2.396 . . . . 0.0 112.741 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.44 16.41 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.057 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.56 -167.32 1.73 Allowed 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.087 -2.057 . . . . 0.0 106.265 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.488 ' H ' HD12 ' A' ' 86' ' ' ILE 0.28 25.5 mmmt -69.69 -172.82 0.53 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 112.459 -2.155 . . . . 0.0 113.393 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.81 48.25 2.03 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 103.187 -3.965 . . . . 0.0 103.187 159.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.643 HG23 HD21 ' A' ' 88' ' ' LEU 0.252 0.2 OUTLIER -63.75 136.53 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.98 0 CA-C-N 108.687 -3.756 . . . . 0.0 107.134 -165.922 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 75.1 mmtt -87.72 123.97 33.1 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 109.387 -3.552 . . . . 0.0 109.333 -159.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 86' ' ' ILE . 28.0 mt -117.26 140.11 49.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.377 -159.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -107.77 141.35 39.46 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 110.014 -3.266 . . . . 0.0 107.143 173.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 123.88 34.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.547 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.09 21.1 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-N 113.747 -1.57 . . . . 0.0 112.29 -167.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.48 -149.45 19.25 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 111.634 -2.283 . . . . 0.0 110.411 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.02 115.95 22.07 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 112.514 -1.843 . . . . 0.0 107.487 172.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.6 pt -137.05 -22.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 CA-C-N 113.457 -1.701 . . . . 0.0 111.691 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.4 t . . . . . 0 C--N 1.356 0.848 0 CA-C-O 123.035 1.398 . . . . 0.0 108.261 167.616 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.601 2.8 m-90 . . . . . 0 CA--C 1.536 0.434 0 N-CA-C 118.515 2.784 . . . . 0.0 118.515 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.99 -38.97 32.46 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 CA-C-N 120.663 1.273 . . . . 0.0 114.758 167.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.21 -44.54 19.57 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 112.926 -1.943 . . . . 0.0 111.983 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.01 -59.12 4.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 124.378 1.049 . . . . 0.0 110.138 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.6 -27.97 69.57 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 125.121 1.513 . . . . 0.0 113.093 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.49 -50.05 74.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.479 171.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -68.19 -45.79 72.43 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 112.997 -1.91 . . . . 0.0 111.864 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -75.15 -28.88 60.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.735 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -68.59 -32.34 72.17 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.762 172.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.94 64.53 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.212 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.9 mtt -70.77 -31.88 68.81 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.203 0.939 . . . . 0.0 110.777 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.88 23.77 6.04 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.457 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -81.17 115.83 20.78 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 163.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.274 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -145.06 135.55 24.27 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 109.583 -171.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.27 113.91 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.478 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -89.48 117.01 67.79 Favored Pre-proline 0 C--N 1.357 0.902 0 O-C-N 124.698 1.249 . . . . 0.0 109.768 170.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.88 171.82 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 120.698 0.932 . . . . 0.0 114.507 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -74.57 117.75 5.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 120.731 0.954 . . . . 0.0 110.43 175.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.63 3.09 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.926 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -98.11 137.17 37.28 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.764 -1.218 . . . . 0.0 108.462 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -60.1 161.13 13.6 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 112.363 -2.199 . . . . 0.0 109.84 171.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.06 -13.75 8.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 122.876 0.935 . . . . 0.0 113.981 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -29.83 69.03 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.213 0.946 . . . . 0.0 110.287 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -67.29 -37.72 83.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 113.168 -1.833 . . . . 0.0 112.038 175.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.6 m -79.54 -34.46 41.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.445 2.341 . . . . 0.0 109.495 -169.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -75.1 -41.62 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.368 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.9 63.89 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.859 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' THR . 63.0 t0 -62.19 -55.1 31.91 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 112.142 -2.299 . . . . 0.0 112.628 169.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -67.61 -28.75 68.01 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 119.42 -0.912 . . . . 0.0 112.646 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.42 -57.08 10.28 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.78 -49.61 75.68 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.645 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.76 -47.06 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.221 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 57' ' ' LEU . 35.3 mt -87.9 -1.29 57.89 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 124.583 1.177 . . . . 0.0 111.768 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.53 73.7 1.04 Allowed Glycine 0 C--N 1.354 1.544 0 O-C-N 124.271 0.982 . . . . 0.0 110.845 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.8 t -145.27 165.98 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 CA-C-N 112.423 -1.888 . . . . 0.0 106.919 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 113.517 -1.674 . . . . 0.0 110.269 179.564 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.226 -0.158 0 CA-C-O 123.064 1.412 . . . . 0.0 110.097 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -117.15 114.51 23.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 110.034 -3.257 . . . . 0.0 109.045 -170.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -84.01 138.58 33.02 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 111.306 -2.679 . . . . 0.0 107.729 172.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -131.51 149.19 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.047 0 C-N-CA 128.092 2.557 . . . . 0.0 105.777 169.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 37' ' ' ILE 0.288 0.9 OUTLIER -124.49 133.67 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.126 1 CA-C-N 107.56 -4.382 . . . . 0.0 103.538 -172.938 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.42 129.08 38.84 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.933 163.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.91 146.29 16.26 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 111.244 -2.707 . . . . 0.0 108.444 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -97.08 120.6 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 165.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 tt -99.22 133.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 O-C-N 125.925 2.016 . . . . 0.0 108.46 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.052 0 CA-C-N 112.571 -2.104 . . . . 0.0 111.529 177.625 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 122.571 1.177 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t 178.44 -32.61 0.01 OUTLIER 'General case' 0 C--N 1.345 0.382 0 CA-C-N 110.987 -2.824 . . . . 0.0 108.191 163.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.8 -45.35 86.66 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.821 1.326 . . . . 0.0 109.07 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -44.89 96.31 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.213 -2.267 . . . . 0.0 109.576 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -89.87 37.86 0.9 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.119 -2.31 . . . . 0.0 111.53 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 20.07 3.3 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.014 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.42 29.64 75.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 113.346 -1.752 . . . . 0.0 112.679 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.28 152.22 20.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 t -125.81 134.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 O-C-N 125.27 1.606 . . . . 0.0 108.686 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.5 t -133.03 119.2 35.78 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 111.787 -2.461 . . . . 0.0 108.219 -162.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -85.94 109.98 19.13 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.686 1.241 . . . . 0.0 108.084 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.606 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -92.31 -42.02 13.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 112.823 -1.989 . . . . 0.0 111.524 -164.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.16 121.73 0.58 Allowed Glycine 0 C--N 1.35 1.35 0 C-N-CA 118.117 -1.992 . . . . 0.0 111.108 -171.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.75 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-N 112.095 -2.052 . . . . 0.0 108.291 167.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.3 -119.87 1.01 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 112.251 -2.249 . . . . 0.0 108.608 -162.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p 58.16 -158.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.177 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -162.25 -166.3 1.37 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.42 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -50.25 -35.85 28.72 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.864 1.977 . . . . 0.0 114.478 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.98 -21.73 66.89 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 117.978 -1.489 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -81.08 -42.28 21.25 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 124.743 1.277 . . . . 0.0 111.875 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -75.96 -31.05 58.86 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.0 0.905 . . . . 0.0 111.941 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.09 -32.92 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 111.465 -2.607 . . . . 0.0 110.512 168.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.04 -41.09 97.52 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.086 -1.445 . . . . 0.0 109.882 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.82 61.45 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 124.646 1.216 . . . . 0.0 111.336 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.35 56.28 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 116.489 -2.085 . . . . 0.0 112.889 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.83 -39.38 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.68 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.23 -50.46 14.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.434 -1.257 . . . . 0.0 113.147 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.6 p -97.65 -28.98 13.67 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 125.28 1.612 . . . . 0.0 113.926 -171.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 99.33 55.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 126.234 2.209 . . . . 0.0 110.792 168.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.78 16.64 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 111.723 -2.489 . . . . 0.0 111.505 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.42 -27.29 24.26 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.165 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.2 144.85 36.79 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.296 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 88' ' ' LEU . 92.8 mt -129.8 125.26 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 111.167 -2.742 . . . . 0.0 106.699 -175.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -114.97 114.77 25.87 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.82 -170.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -107.85 121.82 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 111.692 -2.504 . . . . 0.0 108.322 -177.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.83 121.65 45.17 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.572 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -100.77 121.03 40.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 113.474 -1.694 . . . . 0.0 108.535 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 CA--C 1.54 0.581 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.07 176.597 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.42 -32.63 54.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.486 -0.857 . . . . 0.0 111.907 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.37 -44.45 35.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.179 -165.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -77.47 -42.67 34.97 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.59 -1.641 . . . . 0.0 112.138 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 60' ' ' VAL . 26.3 t -78.04 -41.37 35.83 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.453 1.095 . . . . 0.0 112.944 -163.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -69.06 133.85 48.63 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.426 1.079 . . . . 0.0 111.371 -170.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.84 25.92 63.67 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 112.309 -2.223 . . . . 0.0 111.935 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 tp -75.64 -26.1 57.44 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.941 1.024 . . . . 0.0 112.115 158.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.573 ' H ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.04 -36.07 66.86 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 124.672 1.233 . . . . 0.0 108.64 173.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.292 25.7 mt-10 -77.6 -26.59 50.79 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.311 15.3 tptm -76.45 -29.4 56.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 125.606 1.816 . . . . 0.0 112.692 167.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.1 m -77.13 -40.38 45.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 125.45 1.719 . . . . 0.0 110.318 172.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.37 -42.34 95.61 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 110.902 -2.863 . . . . 0.0 109.898 173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.302 25.0 mm-40 -73.23 -29.78 63.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 109.702 -3.408 . . . . 0.0 112.726 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 -2.02 21.99 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.258 -1.792 . . . . 0.0 113.199 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.93 42.09 17.14 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 mt -145.37 59.77 1.28 Allowed 'General case' 0 C--N 1.346 0.432 0 CA-C-N 111.336 -2.432 . . . . 0.0 107.574 -175.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.15 116.74 29.12 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.699 -2.046 . . . . 0.0 108.242 172.066 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.9 -24.2 2.27 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-N 112.32 -2.218 . . . . 0.0 108.037 -164.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.559 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.4 mp -64.82 124.64 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 111.702 -2.249 . . . . 0.0 108.115 166.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -109.12 132.62 53.94 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 110.774 -2.921 . . . . 0.0 107.484 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 58' ' ' ILE . 7.4 mt -109.79 133.8 52.74 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.141 1.448 . . . . 0.0 110.626 -170.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 20.3 m-30 -107.63 136.81 46.76 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.849 -3.342 . . . . 0.0 106.478 166.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.03 123.8 35.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.011 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.47 152.24 19.98 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.077 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.6 -140.68 16.4 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 112.824 -1.688 . . . . 0.0 110.897 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.65 82.29 2.0 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.005 -2.098 . . . . 0.0 107.963 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 94' ' ' ILE . 1.8 pt -97.08 -41.5 11.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.729 -162.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' VAL . 11.3 t . . . . . 0 CA--C 1.553 1.081 0 CA-C-O 122.75 1.262 . . . . 0.0 111.907 162.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.593 1.8 m-90 . . . . . 0 CA--C 1.538 0.493 0 N-CA-C 119.406 3.114 . . . . 0.0 119.406 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.04 -38.46 31.9 Favored 'Trans proline' 0 CA--C 1.556 1.578 0 CA-C-N 120.93 1.368 . . . . 0.0 114.472 166.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -80.11 -49.52 11.61 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.886 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.2 -48.1 87.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 124.332 1.02 . . . . 0.0 111.047 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.01 -35.51 78.42 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.006 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.47 -39.86 89.14 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.714 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -72.69 -53.09 12.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.451 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.81 -51.27 42.65 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.769 -1.559 . . . . 0.0 110.32 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -66.11 -39.58 90.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.545 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.42 75.09 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.418 1.074 . . . . 0.0 111.987 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.5 mmt -79.35 -20.02 48.84 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.121 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.03 -35.02 0.24 Allowed Glycine 0 C--N 1.358 1.798 0 C-N-CA 117.163 -2.446 . . . . 0.0 114.834 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.483 ' HZ ' ' HG ' ' A' ' 71' ' ' CYS . 54.9 m-85 -60.0 144.14 50.03 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.288 1.042 . . . . 0.0 111.255 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.75 -56.23 5.25 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.617 -2.083 . . . . 0.0 109.454 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -145.2 150.96 37.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.441 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.26 132.7 70.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 113.294 -1.776 . . . . 0.0 108.89 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -92.92 116.75 66.99 Favored Pre-proline 0 C--N 1.356 0.881 0 O-C-N 124.618 1.199 . . . . 0.0 110.851 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.92 132.56 52.74 Favored 'Trans proline' 0 C--N 1.37 1.686 0 O-C-N 123.172 1.09 . . . . 0.0 112.098 159.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -65.08 111.38 1.74 Allowed 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 120.779 0.986 . . . . 0.0 110.971 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.22 -0.27 3.53 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 112.359 -2.201 . . . . 0.0 112.32 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 m -74.39 137.14 42.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 122.282 1.039 . . . . 0.0 109.788 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -57.26 165.94 1.79 Allowed Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 111.833 -2.439 . . . . 0.0 110.054 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 -14.86 8.25 Favored 'Trans proline' 0 C--N 1.354 0.82 0 O-C-N 122.642 0.812 . . . . 0.0 113.874 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.28 -29.66 65.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.47 1.106 . . . . 0.0 111.269 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -31.87 68.82 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.229 -1.805 . . . . 0.0 112.127 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -79.4 -32.67 43.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.948 2.03 . . . . 0.0 109.189 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.415 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.9 mt -75.1 -40.07 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.257 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.01 63.87 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.955 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 52.0 m-20 -63.41 -55.23 25.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 116.719 -1.992 . . . . 0.0 112.333 170.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.7 ptp -67.43 -29.01 68.38 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.872 0.733 . . . . 0.0 112.304 -171.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -71.87 -57.1 4.61 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.772 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -60.26 -30.94 69.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.15 -1.387 . . . . 0.0 113.993 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.94 -46.85 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.865 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 74.9 mt -95.88 21.63 8.35 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.494 1.121 . . . . 0.0 112.345 -170.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.68 59.84 4.6 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.082 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.72 155.12 8.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.479 -1.86 . . . . 0.0 107.177 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 113.344 -1.753 . . . . 0.0 109.177 -179.854 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttp . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 123.347 1.546 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -112.23 109.57 19.32 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 109.393 -3.548 . . . . 0.0 105.323 157.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 53' ' ' THR . 14.0 m -98.25 137.98 36.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.207 -2.27 . . . . 0.0 107.924 -178.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -118.02 122.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 111.903 -2.408 . . . . 0.0 105.308 171.69 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.299 0.9 OUTLIER -107.9 116.76 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 109.546 -3.479 . . . . 0.0 104.265 -167.177 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.55 128.7 46.07 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 117.173 -1.811 . . . . 0.0 110.723 179.573 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.697 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.32 145.87 16.02 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 110.526 -3.034 . . . . 0.0 110.14 173.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.45 120.26 46.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 116.522 -2.071 . . . . 0.0 106.687 163.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 5.7 tt -97.52 132.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 111.383 -2.644 . . . . 0.0 109.557 -167.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.427 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.387 -179.384 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m170 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.73 0.776 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 39.2 t 89.72 -21.08 0.13 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 111.431 -2.622 . . . . 0.0 111.352 -171.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -87.55 -47.05 9.03 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -44.63 96.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.873 171.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -95.38 50.8 1.26 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.647 178.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . -138.4 16.4 2.76 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.109 -1.859 . . . . 0.0 108.798 160.124 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.53 89.81 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 113.69 -1.596 . . . . 0.0 112.062 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 151.5 21.45 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 173.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -77.9 114.06 16.4 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 171.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 6' ' ' ILE . 58.2 t -127.08 108.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 O-C-N 124.888 1.368 . . . . 0.0 108.666 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.19 137.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 110.996 -2.82 . . . . 0.0 107.707 176.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.28 124.48 44.41 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 113.122 -1.853 . . . . 0.0 107.993 172.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 9' ' ' GLY . 60.9 mt -68.93 -42.12 82.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 112.742 -2.027 . . . . 0.0 109.827 177.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.81 -157.93 19.95 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.265 -175.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -109.15 156.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 111.868 -2.166 . . . . 0.0 108.946 -175.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' H ' ' A' ' 41' ' ' SER . 2.4 tp 65.52 -137.4 0.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.896 177.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.503 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 40.5 t 55.81 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.354 0.761 0 C-N-CA 125.36 1.464 . . . . 0.0 112.154 -175.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -119.67 -159.91 0.8 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 111.967 -2.379 . . . . 0.0 106.84 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -48.19 -28.53 3.05 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 112.651 -2.068 . . . . 0.0 113.709 174.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -60.74 -39.27 88.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.0 -21.34 24.88 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 118.019 -1.473 . . . . 0.0 111.252 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.23 -34.23 59.21 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 123.213 1.482 . . . . 0.0 112.703 -179.198 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.6 -49.27 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 109.823 -3.353 . . . . 0.0 110.146 156.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.07 -28.89 67.76 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.128 1.518 . . . . 0.0 113.381 -167.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 53' ' ' THR . . . -73.86 -28.54 61.63 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 117.409 -1.282 . . . . 0.0 111.291 169.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 58' ' ' ILE . . . -75.46 -30.38 59.94 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 118.738 -1.185 . . . . 0.0 113.376 172.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.2 -37.55 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.604 170.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.4 -50.73 29.04 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.474 -170.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 5' ' ' THR . 1.6 t -91.81 -41.11 10.84 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.014 -171.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mmpt? 85.77 79.81 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.296 -2.683 . . . . 0.0 109.68 -162.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.94 136.07 56.4 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 112.036 -2.347 . . . . 0.0 109.933 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -90.28 -32.24 16.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.433 1.083 . . . . 0.0 109.885 164.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 HG22 ' A' ' 6' ' ' ILE . 2.3 pt? -140.23 145.01 36.82 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.384 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 50' ' ' ALA . 30.5 mt -121.86 131.76 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 111.65 -2.523 . . . . 0.0 106.867 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -115.33 138.48 50.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 110.811 -2.904 . . . . 0.0 108.472 -173.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 136.11 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 111.411 -2.631 . . . . 0.0 108.11 -178.139 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.08 112.7 23.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 125.26 1.6 . . . . 0.0 108.452 178.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -104.03 163.78 12.15 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.603 -175.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.8 mt . . . . . 0 CA--C 1.545 0.758 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.451 -178.739 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.805 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.47 -28.45 37.58 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.589 -1.305 . . . . 0.0 112.823 174.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.0 mt -68.37 -44.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.634 -172.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.38 -52.89 8.39 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.055 -1.884 . . . . 0.0 111.799 175.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 11' ' ' ILE . 91.2 m -62.9 -51.14 68.11 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.555 -169.097 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -69.83 113.45 7.08 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.093 1.496 . . . . 0.0 110.788 -170.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.02 16.23 21.85 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 112.618 -2.083 . . . . 0.0 112.348 -176.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.6 tp -75.59 -25.81 57.33 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.742 0.817 . . . . 0.0 111.667 156.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.429 HH21 ' HB3' ' A' ' 111' ' ' MET . 66.4 ttp85 -59.16 -54.5 46.2 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.234 170.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.436 24.5 tt0 -77.54 -25.95 50.57 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 118.198 2.666 . . . . 0.0 118.198 -179.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.35 27.2 tttp -76.13 -29.11 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 125.142 1.526 . . . . 0.0 112.012 167.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 86' ' ' ILE . 12.4 p -77.03 -41.45 42.56 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 117.662 -1.615 . . . . 0.0 110.146 174.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.74 -38.37 90.25 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 110.181 -3.19 . . . . 0.0 110.568 176.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.292 27.2 mm-40 -73.42 -30.76 63.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 110.949 -2.841 . . . . 0.0 112.826 175.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.34 0.05 15.6 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.429 -1.714 . . . . 0.0 113.058 178.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 44.04 9.04 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-O 122.269 0.927 . . . . 0.0 110.811 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 86' ' ' ILE . 39.0 mt -138.61 63.02 1.53 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 111.867 -2.166 . . . . 0.0 107.142 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -92.08 116.81 29.25 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 111.956 -2.384 . . . . 0.0 108.303 172.285 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.07 -24.15 2.08 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 112.366 -2.197 . . . . 0.0 108.378 -171.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -65.63 124.47 20.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.102 167.011 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -109.42 130.29 55.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 109.749 -3.387 . . . . 0.0 106.539 169.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -109.41 132.61 53.96 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 123.439 1.59 . . . . 0.0 111.478 -165.309 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -109.61 129.81 55.56 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 108.976 -3.738 . . . . 0.0 106.821 166.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.87 123.78 57.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 113.756 -1.566 . . . . 0.0 108.715 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.26 22.33 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.82 -166.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.35 -149.16 17.02 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 111.86 -2.17 . . . . 0.0 108.455 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -91.51 82.95 5.33 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.907 -1.647 . . . . 0.0 106.962 168.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.3 pt -79.57 -37.06 18.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.091 -169.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 95' ' ' VAL . 41.9 t . . . . . 0 CA--C 1.545 0.769 0 CA-C-N 113.045 -1.889 . . . . 0.0 111.757 166.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.423 1.4 m-90 . . . . . 0 C--O 1.218 -0.567 0 N-CA-C 120.032 3.345 . . . . 0.0 120.032 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -47.9 -52.07 8.81 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 CA-C-N 121.123 1.437 . . . . 0.0 114.319 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -73.14 -47.62 42.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.923 179.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HA ' HH21 ' A' ' 107' ' ' ARG . 93.8 t -66.32 -51.6 56.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.168 -170.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.44 -40.28 64.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 113.419 -1.719 . . . . 0.0 110.677 -170.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.44 -29.96 71.16 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.934 1.397 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 HH21 ' HA ' ' A' ' 104' ' ' VAL . 14.4 ttp180 -69.56 -49.83 50.6 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.258 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.74 -33.44 73.91 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.884 -1.507 . . . . 0.0 112.142 -177.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -77.78 -28.94 50.62 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.865 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.03 -27.93 69.14 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.172 175.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.429 ' HB3' HH21 ' A' ' 75' ' ' ARG . 19.5 mmt -70.74 -64.16 0.95 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.775 166.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.52 2.38 0.1 OUTLIER Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.716 177.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -59.9 115.97 3.78 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.12 70.43 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.916 -161.1 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -136.66 147.97 47.14 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 123.227 1.489 . . . . 0.0 110.253 176.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.05 113.83 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 110.332 -3.122 . . . . 0.0 108.513 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.16 118.43 55.97 Favored Pre-proline 0 C--N 1.352 0.685 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.703 -170.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.87 167.56 2.23 Favored 'Trans proline' 0 C--N 1.369 1.637 0 N-CA-C 115.806 1.425 . . . . 0.0 115.806 169.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.02 -1.51 6.3 Favored 'Trans proline' 0 C--N 1.371 1.711 0 N-CA-C 118.293 2.382 . . . . 0.0 118.293 -172.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.62 69.54 0.3 Allowed Glycine 0 C--N 1.347 1.176 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -176.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.36 40.4 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 112.039 -2.081 . . . . 0.0 108.713 176.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 159.79 1.65 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 113.052 -1.885 . . . . 0.0 110.233 165.361 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.99 -18.39 6.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 123.01 1.005 . . . . 0.0 113.059 174.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -73.13 -29.73 63.1 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.177 -169.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -31.81 67.36 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.194 175.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.4 m -79.23 -37.06 38.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 126.176 2.172 . . . . 0.0 108.296 -172.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.1 -37.17 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 110.695 -2.957 . . . . 0.0 109.823 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.02 63.97 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.667 173.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -62.56 -55.33 28.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 115.871 -2.332 . . . . 0.0 112.25 170.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 18.4 ptp -67.37 -28.93 68.35 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.868 0.73 . . . . 0.0 111.779 -172.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -68.86 -54.81 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.2 176.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.98 -51.39 69.86 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.798 -1.092 . . . . 0.0 113.781 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.01 -46.99 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.705 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.44 -1.71 42.69 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.714 -175.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.84 63.31 1.91 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.841 167.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.7 p -161.1 149.97 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 111.674 -2.263 . . . . 0.0 109.753 -172.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.548 0.873 0 CA-C-N 109.216 -3.629 . . . . 0.0 110.983 -172.597 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -102.16 109.83 21.64 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.517 -1.674 . . . . 0.0 107.302 162.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 55' ' ' ALA . 36.4 m -83.47 125.06 31.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.121 -1.854 . . . . 0.0 107.133 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.85 146.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 111.488 -2.596 . . . . 0.0 104.798 156.75 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG13 HG21 ' A' ' 37' ' ' ILE 0.269 1.2 t -130.16 125.75 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-N 109.043 -3.708 . . . . 0.0 103.42 -166.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.57 129.12 38.59 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 116.996 -1.882 . . . . 0.0 109.993 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.98 146.15 16.2 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 111.418 -2.628 . . . . 0.0 110.051 170.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -97.43 120.61 46.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.815 HD13 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -96.77 117.96 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 111.786 -2.461 . . . . 0.0 109.781 -168.735 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.557 0 CA-C-N 111.2 -2.727 . . . . 0.0 113.687 171.458 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 m80 . . . . . 0 C--O 1.221 -0.405 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -67.21 -46.38 74.04 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.997 174.288 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -70.88 -42.76 69.59 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.675 -2.057 . . . . 0.0 110.476 -176.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -42.79 99.64 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.705 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -90.72 19.45 5.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 112.923 -1.944 . . . . 0.0 111.682 178.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.67 2.64 56.61 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.084 166.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 24.44 73.55 Favored Glycine 0 C--N 1.356 1.67 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.181 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.35 152.98 18.37 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 118.454 -1.298 . . . . 0.0 108.349 -177.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -77.96 104.93 8.83 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 165.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.97 108.86 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.564 -172.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.46 118.87 53.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.147 -176.3 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -85.85 108.88 18.34 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.889 -1.959 . . . . 0.0 108.179 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.519 HG21 HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -78.82 -25.71 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 112.394 -2.185 . . . . 0.0 110.77 -174.9 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 176.12 22.78 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.235 175.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -87.26 117.93 32.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 112.361 -1.92 . . . . 0.0 109.505 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -164.09 139.5 6.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.008 173.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -85.06 90.84 7.95 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.615 163.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.15 127.77 0.1 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.5 1.143 . . . . 0.0 112.439 173.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 5.6 mm100 -47.93 -55.23 10.41 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 112.184 -2.28 . . . . 0.0 112.506 169.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.8 -19.96 64.55 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.421 1.075 . . . . 0.0 113.334 -164.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -77.12 -44.9 28.73 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.33 1.019 . . . . 0.0 111.261 175.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CE2' HG13 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -76.24 -34.89 59.19 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 122.797 1.284 . . . . 0.0 113.436 -175.401 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.61 -45.27 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 110.329 -3.123 . . . . 0.0 110.619 161.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.04 -28.76 66.84 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.89 1.369 . . . . 0.0 112.08 -171.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -28.33 62.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.199 0.937 . . . . 0.0 112.413 171.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -74.01 -30.3 62.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 117.921 -1.512 . . . . 0.0 113.768 166.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.05 -43.04 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.657 173.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.15 -50.65 12.52 Favored 'General case' 0 CA--C 1.493 -1.224 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.315 -168.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.26 0.0 OUTLIER -105.17 -9.84 17.49 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 110.522 -3.035 . . . . 0.0 113.617 -165.525 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 73.63 59.83 0.09 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 124.98 1.425 . . . . 0.0 110.025 167.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' H ' ' HA ' ' A' ' 50' ' ' ALA . . . -83.87 122.58 28.9 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.037 -169.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.22 -28.27 63.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.892 173.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 134' ' ' LEU 0.261 2.7 pt? -140.38 144.92 36.48 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.91 1.814 . . . . 0.0 112.508 175.832 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.618 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.0 mt -126.15 128.28 71.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 109.33 -3.577 . . . . 0.0 108.531 -177.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 41.8 t -115.07 136.75 52.78 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 112.46 -2.155 . . . . 0.0 109.049 -175.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.445 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.12 121.72 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 111.649 -2.523 . . . . 0.0 106.15 179.208 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -114.83 112.68 23.15 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.775 1.297 . . . . 0.0 108.616 175.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 p -100.86 155.87 17.69 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.848 -178.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.487 0 CA-C-N 110.731 -2.941 . . . . 0.0 110.176 -166.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 C--O 1.219 -0.834 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -27.95 68.12 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.253 -1.474 . . . . 0.0 112.453 177.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -68.16 -44.66 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.285 -170.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 t70 -77.91 -56.12 4.75 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.027 170.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.815 ' SG ' HD13 ' A' ' 11' ' ' ILE . 64.5 m -64.48 -25.71 68.12 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 113.501 -1.681 . . . . 0.0 115.04 -164.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -57.0 111.44 1.04 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.192 0.932 . . . . 0.0 109.99 -177.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.67 40.84 36.78 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 118.581 -1.771 . . . . 0.0 110.784 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.43 -26.23 58.17 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 126.364 1.861 . . . . 0.0 110.316 161.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -73.08 -32.02 64.74 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 117.619 -1.632 . . . . 0.0 109.507 172.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.351 33.6 tt0 -77.59 -26.43 50.76 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 169.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 5.3 tmtt? -76.18 -29.21 57.6 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 125.748 1.905 . . . . 0.0 112.72 166.8 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.47 ' SG ' HD12 ' A' ' 58' ' ' ILE . 69.9 m -77.14 -40.94 43.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 125.667 1.854 . . . . 0.0 110.495 171.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.87 -43.42 85.99 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 110.676 -2.965 . . . . 0.0 109.658 172.288 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 26.2 mm-40 -73.17 -29.88 63.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 109.172 -3.649 . . . . 0.0 112.226 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -3.19 27.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.343 176.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.67 46.49 7.86 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-O 122.471 1.039 . . . . 0.0 110.754 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.406 ' HB3' HD12 ' A' ' 86' ' ' ILE . 83.6 mt -149.28 70.32 1.08 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 111.535 -2.332 . . . . 0.0 106.812 -175.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.65 127.03 55.99 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.24 -2.254 . . . . 0.0 110.449 -173.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.12 -28.0 5.46 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 107.104 -2.398 . . . . 0.0 107.104 -172.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.767 HG22 HD21 ' A' ' 88' ' ' LEU . 56.3 mt -64.93 124.74 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-N 110.136 -3.032 . . . . 0.0 109.322 165.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.586 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 mttt -108.52 130.8 55.27 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 110.93 -2.85 . . . . 0.0 109.166 -178.197 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 86' ' ' ILE . 4.7 mt -120.88 149.31 42.79 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.477 -172.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -114.77 131.46 56.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 109.48 -3.509 . . . . 0.0 109.807 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 5.6 p -125.86 123.84 65.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 114.092 -1.413 . . . . 0.0 109.053 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.91 152.19 20.66 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.814 -174.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.51 -122.37 7.17 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.887 -2.157 . . . . 0.0 112.076 164.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.41 71.93 3.77 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.374 1.083 . . . . 0.0 109.154 -175.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 95' ' ' VAL . 1.2 pt -86.25 -78.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 112.09 -2.323 . . . . 0.0 107.497 -172.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.447 ' H ' HG13 ' A' ' 94' ' ' ILE . 3.4 t . . . . . 0 CA--C 1.542 0.664 0 CA-C-N 113.386 -1.733 . . . . 0.0 112.835 -177.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.433 4.4 m-90 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 118.815 2.895 . . . . 0.0 118.815 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.96 -50.0 12.7 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 N-CA-C 115.123 1.163 . . . . 0.0 115.123 173.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.8 -48.38 66.45 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.468 -1.697 . . . . 0.0 111.517 174.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.43 -59.08 4.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.166 -167.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.47 -27.97 69.35 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.75 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -58.52 -38.02 76.85 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 117.784 -1.567 . . . . 0.0 111.461 173.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -69.99 -53.35 18.07 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.372 -179.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -72.36 -54.98 7.86 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.721 -167.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -63.34 -28.67 70.16 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.6 177.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.85 76.06 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.59 -1.244 . . . . 0.0 112.643 175.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.6 mmt -65.43 -29.94 70.68 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 119.022 -1.071 . . . . 0.0 112.118 173.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.76 20.22 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.544 176.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.16 146.56 30.47 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.084 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.24 -72.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -158.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -144.26 149.18 35.9 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.118 0.886 . . . . 0.0 110.181 -162.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.23 137.57 55.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.072 -175.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.63 146.97 41.08 Favored Pre-proline 0 C--N 1.356 0.872 0 CA-C-N 112.05 -2.341 . . . . 0.0 111.828 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -68.69 178.17 4.16 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.697 1.598 . . . . 0.0 113.437 170.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.44 122.42 2.79 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 122.238 1.958 . . . . 0.0 109.641 161.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.5 56.53 2.0 Allowed Glycine 0 C--N 1.349 1.3 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.741 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.104 -2.048 . . . . 0.0 107.851 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.5 p -60.33 116.97 20.07 Favored Pre-proline 0 C--N 1.351 0.662 0 O-C-N 125.443 1.715 . . . . 0.0 107.602 163.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -64.95 -9.72 22.55 Favored 'Trans proline' 0 C--N 1.365 1.439 0 O-C-N 122.671 0.827 . . . . 0.0 114.129 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.02 -37.18 19.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 125.251 1.595 . . . . 0.0 112.459 169.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -32.66 52.66 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.997 -1.456 . . . . 0.0 112.708 -177.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.3 -34.21 42.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 126.001 2.063 . . . . 0.0 109.336 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.416 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 70.9 mt -75.24 -39.41 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 111.236 -2.711 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.99 63.61 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.286 -1.779 . . . . 0.0 111.378 174.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -64.11 -55.16 23.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 116.406 -2.118 . . . . 0.0 113.303 170.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 19.1 ptp -64.84 -28.97 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.096 0.872 . . . . 0.0 110.964 -174.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -67.62 -57.12 6.97 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.795 177.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -66.55 -57.17 7.83 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 117.506 -1.678 . . . . 0.0 114.213 -177.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -34.55 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 112.069 -2.332 . . . . 0.0 113.881 -170.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.453 HD11 HD22 ' A' ' 57' ' ' LEU . 36.1 mt -89.31 -18.61 26.61 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.131 0.894 . . . . 0.0 111.127 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.11 78.72 1.31 Allowed Glycine 0 C--N 1.353 1.498 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.068 178.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.69 162.57 5.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 112.33 -1.935 . . . . 0.0 107.017 -173.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.483 176.244 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.409 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HG2' HD13 ' A' ' 134' ' ' LEU . 11.4 mptt -96.04 109.89 22.22 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 113.15 -1.841 . . . . 0.0 108.068 167.071 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.0 m -87.19 140.17 29.82 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.831 -1.986 . . . . 0.0 106.922 170.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 149.32 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.915 0 C-N-CA 129.952 3.301 . . . . 0.0 105.003 176.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.695 HG13 HD11 ' A' ' 37' ' ' ILE 0.281 2.4 t -123.88 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 1 CA-C-N 108.163 -4.108 . . . . 0.0 104.12 177.52 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.12 128.22 37.65 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 115.643 -2.423 . . . . 0.0 105.639 155.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HB ' ' A' ' 37' ' ' ILE . . . -124.32 145.27 15.79 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.637 -2.074 . . . . 0.0 108.259 -177.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.41 120.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 117.774 -1.571 . . . . 0.0 107.41 -177.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 tt -98.88 144.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 CA-C-N 110.696 -2.956 . . . . 0.0 110.666 -156.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.289 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.498 165.648 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 t60 . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -84.61 -24.34 29.18 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 125.444 1.715 . . . . 0.0 111.096 -175.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.07 -43.15 58.81 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.959 -1.473 . . . . 0.0 108.81 176.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.65 97.72 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.68 -2.054 . . . . 0.0 109.868 175.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -89.27 38.3 0.89 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.884 176.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.77 22.59 3.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.231 165.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.62 33.81 88.23 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-N 112.788 -2.006 . . . . 0.0 112.844 177.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.08 148.98 28.11 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.207 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.82 104.79 10.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 168.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 59.6 t -122.54 131.51 73.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.188 -1.824 . . . . 0.0 107.878 -172.19 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.08 110.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.155 -2.293 . . . . 0.0 107.762 -168.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.65 111.48 20.7 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.304 -1.771 . . . . 0.0 108.685 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.695 HD11 HG13 ' A' ' 7' ' ' VAL . 2.9 mm -77.86 -39.96 26.6 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.252 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.88 175.78 51.15 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.458 -174.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.99 162.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.628 -1.786 . . . . 0.0 110.716 -175.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt 71.27 77.94 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.157 -2.292 . . . . 0.0 109.37 173.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 p 152.23 152.04 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 109.758 -3.383 . . . . 0.0 104.471 -161.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -150.28 -150.87 0.37 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.073 -1.421 . . . . 0.0 108.334 -169.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -47.96 -48.76 32.07 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 125.226 1.41 . . . . 0.0 113.914 -169.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.74 -27.58 68.41 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 124.914 1.384 . . . . 0.0 112.176 -173.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.776 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.58 -34.39 58.44 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.953 1.359 . . . . 0.0 113.162 -177.092 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.87 -46.33 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 110.099 -3.228 . . . . 0.0 111.792 156.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.94 -28.78 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.784 1.303 . . . . 0.0 111.362 -172.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.88 61.82 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.358 169.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.76 -30.2 65.32 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.673 -2.011 . . . . 0.0 113.413 168.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.51 -42.11 83.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.035 172.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.05 -50.39 13.19 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.917 -168.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.7 p -95.31 -28.76 14.83 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 125.59 1.807 . . . . 0.0 112.775 -171.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.261 56.4 mttp 92.58 57.46 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 112.13 -2.304 . . . . 0.0 109.976 169.007 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -76.12 123.62 26.12 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 109.738 -3.392 . . . . 0.0 111.214 -172.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.62 -17.65 50.63 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 125.663 1.852 . . . . 0.0 110.111 170.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 134' ' ' LEU . 2.7 pt? -140.46 144.74 36.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.144 1.45 . . . . 0.0 111.623 173.181 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.513 ' HB ' HD22 ' A' ' 88' ' ' LEU . 18.9 mt -126.74 122.11 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 110.745 -2.934 . . . . 0.0 107.317 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.1 t -109.18 141.29 41.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.915 -2.402 . . . . 0.0 108.377 178.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -117.41 121.88 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 110.925 -2.852 . . . . 0.0 105.352 173.435 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.24 128.72 44.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 112.083 -2.326 . . . . 0.0 106.363 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -124.17 138.37 54.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 113.1 -1.864 . . . . 0.0 108.966 -162.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 77.2 mt . . . . . 0 CA--C 1.544 0.721 0 CA-C-N 111.849 -2.432 . . . . 0.0 110.616 -168.234 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 CA-C-O 122.843 1.246 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -80.7 -27.73 36.91 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 111.035 -2.583 . . . . 0.0 114.645 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.75 -35.16 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 O-C-N 124.952 1.407 . . . . 0.0 110.005 172.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -77.03 -29.94 55.5 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.281 -1.782 . . . . 0.0 111.118 175.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 60' ' ' VAL . 35.8 t -70.58 -25.63 63.15 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.567 1.167 . . . . 0.0 114.041 -174.117 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -50.01 117.62 2.43 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.248 0.967 . . . . 0.0 112.315 -170.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.55 32.77 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 113.003 -1.908 . . . . 0.0 112.209 -176.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 -25.8 56.95 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.807 0.945 . . . . 0.0 110.113 152.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.02 88.52 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 117.896 -1.521 . . . . 0.0 108.846 172.153 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 28.3 tt0 -77.72 -26.31 49.97 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 176.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.353 30.4 mmtp -76.61 -29.49 56.54 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 125.176 1.547 . . . . 0.0 113.402 166.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.4 t -77.38 -32.34 54.85 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 125.069 1.481 . . . . 0.0 111.877 174.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.98 -34.14 51.03 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 110.852 -2.885 . . . . 0.0 111.06 173.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 31.7 mt-10 -73.29 -29.79 62.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 111.681 -2.509 . . . . 0.0 112.744 174.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.84 1.54 10.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.442 -1.708 . . . . 0.0 112.478 -177.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.95 38.29 36.2 Favored Glycine 0 C--N 1.354 1.529 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.49 34.55 1.65 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 111.596 -2.302 . . . . 0.0 109.091 -169.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 121.63 24.34 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.108 177.681 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.47 -28.53 1.49 Allowed Glycine 0 C--N 1.351 1.375 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -170.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.0 125.8 22.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 111.796 -2.202 . . . . 0.0 110.984 170.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.91 138.6 31.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 109.773 -3.376 . . . . 0.0 108.277 164.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -114.04 137.15 52.1 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 123.462 1.601 . . . . 0.0 112.015 -174.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -107.9 146.8 31.86 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 110.442 -3.072 . . . . 0.0 108.419 173.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.28 123.77 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 111.497 -2.592 . . . . 0.0 106.218 175.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.77 149.43 20.61 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 125.022 1.451 . . . . 0.0 112.914 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.7 -143.8 15.8 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-N 111.913 -2.143 . . . . 0.0 111.613 166.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -81.03 81.24 7.33 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 112.697 -1.751 . . . . 0.0 108.086 173.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.9 pt -78.13 -50.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 110.953 -2.84 . . . . 0.0 110.359 -170.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t . . . . . 0 CA--C 1.551 0.99 0 CA-C-N 111.281 -2.69 . . . . 0.0 109.162 173.277 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.463 1.3 m-90 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 120.247 3.425 . . . . 0.0 120.247 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.89 -28.27 30.74 Favored 'Trans proline' 0 C--N 1.363 1.31 0 N-CA-C 116.097 1.537 . . . . 0.0 116.097 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.06 -42.52 23.55 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.55 175.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.71 -54.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.947 -174.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.61 -27.96 61.56 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.842 -1.526 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -60.56 -39.85 89.48 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.61 -1.236 . . . . 0.0 111.816 169.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -73.31 -53.15 11.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.561 -173.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -74.3 -43.77 55.42 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.137 -169.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.42 -28.71 66.37 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.918 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.73 71.57 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.192 0.933 . . . . 0.0 112.005 174.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.32 -62.48 1.51 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.13 167.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 148.39 37.93 0.04 OUTLIER Glycine 0 C--N 1.351 1.361 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.8 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -81.18 146.08 30.68 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.838 -1.181 . . . . 0.0 108.418 169.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.51 -72.71 0.18 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.129 -1.85 . . . . 0.0 110.812 -178.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -145.1 156.2 43.76 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 124.293 0.996 . . . . 0.0 111.305 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.67 115.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.082 -177.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -86.48 139.0 33.68 Favored Pre-proline 0 C--N 1.357 0.928 0 O-C-N 124.559 1.162 . . . . 0.0 110.801 167.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -61.89 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.062 1.841 . . . . 0.0 114.729 173.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.25 121.78 4.95 Favored 'Trans proline' 0 C--N 1.362 1.251 0 C-N-CA 121.445 1.43 . . . . 0.0 110.744 166.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.91 53.35 2.56 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 113.021 -1.899 . . . . 0.0 111.307 178.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.03 137.46 40.28 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 112.634 -1.783 . . . . 0.0 109.217 178.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.98 160.03 0.7 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.802 163.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.16 -18.61 8.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.064 1.176 . . . . 0.0 113.07 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.507 -169.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.2 m -67.57 -37.12 82.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 113.622 -1.626 . . . . 0.0 112.857 176.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 m -79.67 -32.14 41.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 126.855 2.597 . . . . 0.0 108.721 -173.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 71.1 mt -75.21 -39.19 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.364 178.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.94 63.99 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.443 174.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 125' ' ' THR . 29.6 t0 -59.2 -55.36 35.96 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 113.069 -1.878 . . . . 0.0 112.276 170.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.7 ptp -70.66 -28.81 65.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.897 0.748 . . . . 0.0 112.119 -174.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -65.37 -56.46 12.46 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.766 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.34 -43.5 83.47 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.776 -1.556 . . . . 0.0 114.165 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.66 -47.15 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 113.763 -1.562 . . . . 0.0 112.079 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 57' ' ' LEU . 33.6 mt -93.41 11.43 28.41 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.58 1.175 . . . . 0.0 112.329 -168.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.29 65.8 2.34 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.223 0.952 . . . . 0.0 111.65 176.084 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -149.27 155.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.408 -174.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 CA--C 1.542 0.662 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.145 178.061 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.5 mttt . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 123.667 1.698 . . . . 0.0 112.15 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -111.94 110.02 20.12 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 108.898 -3.774 . . . . 0.0 106.414 159.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 53' ' ' THR . 93.6 m -96.26 115.69 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.178 -2.283 . . . . 0.0 107.526 -176.464 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.03 137.76 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.307 0 CA-C-N 112.177 -2.283 . . . . 0.0 106.355 171.824 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 0.9 OUTLIER -130.17 126.45 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.786 1 CA-C-N 108.185 -4.098 . . . . 0.0 104.023 -164.776 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.67 129.46 38.83 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 117.299 -1.76 . . . . 0.0 111.084 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.45 145.27 16.01 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.564 165.032 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -97.82 120.64 47.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 170.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -96.79 143.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-N 112.848 -1.978 . . . . 0.0 108.723 -166.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.949 0 CA-C-N 111.476 -2.602 . . . . 0.0 109.284 -174.625 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 m80 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 122.117 0.96 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.3 p -152.74 -54.87 0.12 Allowed 'General case' 0 C--N 1.349 0.546 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.504 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.71 -48.13 64.64 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 112.099 -2.319 . . . . 0.0 109.339 177.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -75.74 -34.39 60.31 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.054 -2.339 . . . . 0.0 109.928 -174.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -80.93 20.45 0.78 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 110.855 -2.884 . . . . 0.0 111.953 168.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.64 23.37 8.83 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 163.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.73 38.89 93.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 112.521 -2.127 . . . . 0.0 112.885 177.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.19 155.8 17.55 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.08 173.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -78.91 104.84 9.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.934 -2.394 . . . . 0.0 104.992 161.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.57 108.8 22.36 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.555 -173.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.53 111.47 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 110.667 -2.969 . . . . 0.0 107.235 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.75 107.18 17.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 111.976 -2.375 . . . . 0.0 106.409 177.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.87 -24.6 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.248 178.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.42 -124.55 7.48 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 112.118 -2.31 . . . . 0.0 109.022 170.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 m -97.06 170.31 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 111.53 -2.335 . . . . 0.0 110.421 -171.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -17.61 130.24 0.01 OUTLIER 'General case' 0 C--N 1.347 0.478 0 CA-C-N 110.02 -3.264 . . . . 0.0 115.1 164.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 -62.19 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 110.79 -2.914 . . . . 0.0 106.601 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p 138.04 167.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.905 0 O-C-N 126.582 2.426 . . . . 0.0 108.089 -177.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -47.72 -50.24 25.75 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.093 -2.321 . . . . 0.0 112.861 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.71 -20.74 65.19 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 124.324 1.015 . . . . 0.0 113.471 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.29 -29.6 20.26 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 124.171 0.92 . . . . 0.0 111.395 177.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.34 -39.16 54.71 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 123.247 1.499 . . . . 0.0 111.607 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -49.75 -38.48 13.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 109.857 -3.338 . . . . 0.0 111.859 159.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.88 -28.81 67.84 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.319 1.012 . . . . 0.0 111.697 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.74 -28.9 62.92 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.009 0.818 . . . . 0.0 110.613 167.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.15 67.52 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 116.297 -2.161 . . . . 0.0 113.76 167.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.84 -38.93 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.759 174.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -77.02 -50.39 13.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.01 -1.45 . . . . 0.0 112.022 -169.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HB ' HG21 ' A' ' 5' ' ' THR . 16.5 p -96.78 -29.27 13.85 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 125.525 1.766 . . . . 0.0 114.001 -173.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 86.53 75.63 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 O-C-N 125.853 1.971 . . . . 0.0 109.392 176.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.4 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -65.09 146.99 54.27 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 110.066 -3.243 . . . . 0.0 111.025 -175.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -33.6 15.87 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.552 154.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 6' ' ' ILE 0.274 2.7 pt? -140.57 144.74 36.02 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 123.152 1.454 . . . . 0.0 112.258 -176.557 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.497 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.5 mt -126.29 132.8 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 110.472 -3.058 . . . . 0.0 107.78 -179.579 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 m -114.93 140.72 48.78 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.078 -176.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.57 121.85 46.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 110.543 -3.026 . . . . 0.0 105.929 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.08 113.0 23.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.83 -171.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -111.34 122.58 48.22 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.018 -170.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.542 0.659 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.956 -175.52 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 CA-C-O 121.421 0.456 . . . . 0.0 112.821 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.38 -27.93 60.88 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.269 -1.465 . . . . 0.0 111.509 176.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -85.48 -44.08 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 113.164 -1.835 . . . . 0.0 109.87 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.06 -29.93 55.33 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.177 -1.828 . . . . 0.0 112.77 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.432 ' CB ' HG21 ' A' ' 90' ' ' VAL . 16.3 p -78.11 -39.04 42.55 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.364 1.04 . . . . 0.0 110.883 175.178 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.61 125.07 23.08 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.892 -1.504 . . . . 0.0 111.664 -172.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.11 11.76 72.24 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 112.321 -2.218 . . . . 0.0 112.638 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 32.0 tp -75.55 -30.23 59.65 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.463 0.743 . . . . 0.0 110.139 154.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -51.63 -54.26 29.81 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.502 1.126 . . . . 0.0 110.548 166.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.406 26.8 tt0 -77.47 -26.13 51.12 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 28.3 mmtp -76.24 -29.38 57.5 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.924 1.39 . . . . 0.0 113.5 169.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 74' ' ' LEU . 78.8 m -77.31 -34.65 55.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 123.332 1.539 . . . . 0.0 111.538 172.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.18 -44.21 84.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 110.094 -3.23 . . . . 0.0 109.871 171.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.278 32.7 mt-10 -73.28 -29.66 62.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 109.747 -3.388 . . . . 0.0 112.76 -176.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.76 0.33 13.38 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.468 -177.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 34.06 48.71 Favored Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -178.017 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.2 mt -135.95 44.91 2.43 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.865 -2.168 . . . . 0.0 108.696 -171.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 123.14 31.72 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.647 -2.069 . . . . 0.0 109.442 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.87 -31.17 2.22 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 107.309 -2.316 . . . . 0.0 107.309 -173.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.4 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.2 mp -64.83 124.84 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.407 -2.397 . . . . 0.0 110.851 169.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.1 143.73 26.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 108.84 -3.8 . . . . 0.0 108.19 169.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.497 HD22 ' HB ' ' A' ' 58' ' ' ILE . 36.4 mt -121.23 130.64 53.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.778 -169.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.86 137.01 46.61 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 110.546 -3.025 . . . . 0.0 107.308 175.336 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG21 ' CB ' ' A' ' 71' ' ' CYS . 7.5 p -136.18 123.91 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 112.658 -2.065 . . . . 0.0 107.78 176.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.34 152.05 21.77 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.815 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.99 -153.88 25.59 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 111.543 -2.328 . . . . 0.0 108.869 -178.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -97.04 60.69 1.72 Allowed 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.137 -1.531 . . . . 0.0 108.529 171.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.619 ' H ' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -80.25 152.35 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 112.08 -2.327 . . . . 0.0 106.934 -175.577 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.263 0.3 OUTLIER . . . . . 0 N--CA 1.439 -1.01 0 CA-C-N 112.41 -2.177 . . . . 0.0 111.168 -172.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.363 1.9 m-90 . . . . . 0 CA--C 1.559 1.298 0 N-CA-C 120.522 3.527 . . . . 0.0 120.522 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -82.09 -52.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.975 0 CA-C-N 122.203 1.823 . . . . 0.0 111.311 164.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.16 -29.8 38.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.466 -2.152 . . . . 0.0 111.459 -173.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.18 -46.55 83.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.796 -174.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -73.55 -28.0 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.328 -1.305 . . . . 0.0 111.075 178.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.66 -43.15 97.99 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.33 176.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -75.49 -53.11 9.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.773 -175.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.93 -49.62 69.68 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.46 -169.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -69.29 -28.59 66.42 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.131 -2.304 . . . . 0.0 112.538 -178.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.0 69.11 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.038 0.836 . . . . 0.0 112.471 172.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.58 -45.02 84.86 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.314 1.009 . . . . 0.0 109.926 169.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.35 1.03 1.11 Allowed Glycine 0 CA--C 1.537 1.415 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.252 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 146.04 15.28 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.185 0.993 . . . . 0.0 111.604 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.3 -61.29 2.05 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 112.141 -2.299 . . . . 0.0 109.601 -174.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -145.07 150.16 36.34 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.161 -175.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.12 122.9 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.812 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -92.27 116.77 67.07 Favored Pre-proline 0 C--N 1.357 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 169.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -56.58 170.4 1.33 Allowed 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 120.856 1.037 . . . . 0.0 113.941 168.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -73.05 118.92 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 120.667 0.911 . . . . 0.0 111.068 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 105.13 26.21 6.4 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 112.84 -1.982 . . . . 0.0 112.393 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -89.01 137.06 32.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 122.316 1.055 . . . . 0.0 108.873 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 p -60.77 167.08 3.73 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 111.812 -2.449 . . . . 0.0 109.9 170.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.13 -13.2 9.1 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 120.597 0.864 . . . . 0.0 113.099 167.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.95 -29.85 69.82 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 121.6 0.714 . . . . 0.0 111.628 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -70.14 -36.65 74.93 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.036 -1.893 . . . . 0.0 112.211 175.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.5 m -79.57 -31.03 41.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 127.481 2.988 . . . . 0.0 109.478 -172.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.12 -42.0 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.775 178.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 112.532 -2.122 . . . . 0.0 109.715 176.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 125' ' ' THR . 19.2 t0 -60.02 -55.25 36.33 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.757 -2.02 . . . . 0.0 112.7 171.406 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.4 ptp -69.28 -28.93 66.72 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.003 0.814 . . . . 0.0 111.977 -172.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -70.93 -57.09 4.92 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.661 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.18 -33.49 65.32 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.67 -46.5 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.434 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.0 mt -97.33 40.31 1.16 Allowed 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.257 0.973 . . . . 0.0 112.021 -167.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.28 43.77 37.35 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 114.326 -1.307 . . . . 0.0 112.744 171.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.33 -160.56 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -178.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.671 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.381 171.559 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.67 109.72 21.62 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.216 -1.811 . . . . 0.0 107.44 171.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 53' ' ' THR . 29.7 m -96.32 134.76 39.04 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.346 171.418 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.516 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -110.15 122.64 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.009 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 164.811 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.5 t -101.38 124.91 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 CA-C-N 108.826 -3.806 . . . . 0.0 102.654 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.598 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -132.32 129.08 39.02 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 117.956 -1.498 . . . . 0.0 109.089 173.635 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.85 145.4 15.96 Favored Glycine 0 C--N 1.357 1.72 0 CA-C-N 111.859 -2.428 . . . . 0.0 109.523 175.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.91 119.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.142 0 C-N-CA 114.226 -2.99 . . . . 0.0 106.128 178.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 142.04 16.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 O-C-N 125.569 1.793 . . . . 0.0 110.173 -163.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.975 0 CA-C-N 109.953 -3.294 . . . . 0.0 109.95 178.192 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -61.41 -44.57 96.91 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.254 -1.794 . . . . 0.0 112.712 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.23 -36.03 66.37 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.088 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.25 -32.47 73.51 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.326 -1.761 . . . . 0.0 110.647 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -103.48 22.29 14.52 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.712 -2.04 . . . . 0.0 110.94 176.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.02 2.06 53.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.147 166.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.63 26.12 66.02 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.229 -173.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -97.75 157.0 16.31 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 118.169 -1.412 . . . . 0.0 107.76 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.77 115.9 17.88 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 103.455 -2.794 . . . . 0.0 103.455 160.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.18 108.75 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 109.17 -177.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.71 110.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 111.392 -2.64 . . . . 0.0 107.826 178.034 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -86.98 98.02 11.03 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.107 173.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -73.55 -41.73 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 112.462 -2.153 . . . . 0.0 107.736 167.256 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 -21.73 25.66 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 112.24 -2.255 . . . . 0.0 115.27 151.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.29 170.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -159.109 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 14.8 mt -39.96 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.732 4.413 . . . . 0.0 115.009 -172.362 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 p -65.96 101.53 0.68 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -178.83 65.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.757 0 CA-C-N 112.404 -2.18 . . . . 0.0 109.465 -171.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.28 -28.95 69.55 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 112.541 -2.118 . . . . 0.0 112.2 170.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.35 -28.5 69.74 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.177 1.548 . . . . 0.0 111.179 176.201 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -87.01 -26.68 23.63 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.734 -1.576 . . . . 0.0 111.18 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.39 -39.55 53.37 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-O 123.516 1.627 . . . . 0.0 111.857 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -49.84 -40.3 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.588 -3.46 . . . . 0.0 111.409 161.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -72.38 -28.82 63.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 124.608 1.192 . . . . 0.0 111.688 -174.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.852 ' O ' HG22 ' A' ' 53' ' ' THR . . . -72.28 -28.6 63.21 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.483 167.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.52 60.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.398 1.062 . . . . 0.0 112.919 170.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.69 -36.58 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 171.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.62 -50.87 26.76 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.277 -171.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 5' ' ' THR . 1.1 t -91.07 -39.61 12.08 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 110.793 -2.912 . . . . 0.0 112.351 -168.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 85.89 77.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.661 0 CA-C-N 111.449 -2.614 . . . . 0.0 109.464 -164.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.84 58.23 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.504 -178.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -30.03 17.71 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.187 -1.37 . . . . 0.0 110.002 156.275 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 6' ' ' ILE 0.324 2.6 pt? -140.45 145.03 36.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 122.95 1.357 . . . . 0.0 112.963 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 46.0 mt -122.89 125.1 71.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 110.74 -2.936 . . . . 0.0 107.548 177.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.32 137.19 52.31 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 111.591 -2.549 . . . . 0.0 110.316 -175.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.47 121.82 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 110.457 -3.065 . . . . 0.0 106.526 178.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t -115.01 112.73 23.11 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.725 1.266 . . . . 0.0 108.361 -174.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -109.31 135.23 50.72 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.116 -155.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.355 0.845 0 CA-C-N 113.457 -1.702 . . . . 0.0 111.043 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.32 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CB ' HH22 ' A' ' 107' ' ' ARG . 13.4 pt-20 -79.1 -30.49 43.86 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.418 -0.891 . . . . 0.0 110.813 174.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.68 -44.27 79.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 112.8 -2.0 . . . . 0.0 110.687 -170.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -77.3 -56.66 4.36 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 117.063 -1.855 . . . . 0.0 110.807 172.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.4 m -71.59 -38.8 70.83 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.736 -1.574 . . . . 0.0 112.745 -150.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.66 117.44 8.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.34 1.067 . . . . 0.0 111.496 -173.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.541 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 103.02 20.69 10.95 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 111.688 -2.505 . . . . 0.0 111.714 -176.018 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.53 -26.97 58.5 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.59 0.817 . . . . 0.0 111.199 161.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . 17.9 tpp180 -56.49 -54.36 46.71 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.562 168.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.376 24.5 mp0 -77.08 -26.07 53.03 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 116.993 2.219 . . . . 0.0 116.993 -177.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -76.26 -29.26 57.39 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 125.654 1.846 . . . . 0.0 113.166 169.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.13 -33.81 56.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 123.19 1.472 . . . . 0.0 111.356 174.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.77 -34.79 67.2 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 110.552 -3.022 . . . . 0.0 110.437 173.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.323 2.0 pt-20 -73.13 -29.92 63.24 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.724 -2.489 . . . . 0.0 112.205 177.251 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.65 1.5 10.07 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.109 -2.314 . . . . 0.0 112.497 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.76 46.23 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.4 mt -140.71 43.48 1.84 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.802 -2.199 . . . . 0.0 108.831 -171.132 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 112.09 18.29 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 113.318 -1.764 . . . . 0.0 109.089 170.064 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.01 -29.3 0.59 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.798 -2.455 . . . . 0.0 108.453 -170.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.92 127.54 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 111.582 -2.309 . . . . 0.0 109.857 165.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -87.78 146.06 25.81 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 110.912 -2.858 . . . . 0.0 107.671 161.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.1 mt -125.25 133.8 52.55 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 122.545 1.164 . . . . 0.0 112.015 -170.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -107.94 129.95 55.07 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.223 -2.717 . . . . 0.0 107.787 169.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.0 123.94 71.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.716 167.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.58 152.33 20.64 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 112.128 -2.305 . . . . 0.0 108.45 -171.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.22 -144.92 16.99 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 177.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -79.92 -34.8 38.65 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.666 -1.767 . . . . 0.0 110.302 173.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.467 HD11 ' CH2' ' A' ' 101' ' ' TRP 0.266 2.7 pp 46.23 39.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.524 178.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 94' ' ' ILE 0.261 12.4 p . . . . . 0 N--CA 1.441 -0.882 0 CA-C-N 111.502 -2.59 . . . . 0.0 108.038 173.655 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.467 ' CH2' HD11 ' A' ' 94' ' ' ILE 0.49 1.2 m-90 . . . . . 0 CA--C 1.542 0.657 0 N-CA-C 119.438 3.125 . . . . 0.0 119.438 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.05 -43.99 29.16 Favored 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 115.66 1.369 . . . . 0.0 115.66 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -80.19 -40.35 27.39 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.976 178.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 67.9 t -68.73 -51.76 42.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.232 -171.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.0 -34.11 74.3 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 124.882 1.364 . . . . 0.0 112.47 174.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.55 -37.18 80.4 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.522 175.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.459 HH22 ' CB ' ' A' ' 68' ' ' GLU . 57.4 ttp85 -78.11 -42.36 32.22 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.392 1.057 . . . . 0.0 112.175 -176.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.74 -53.94 19.0 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.46 -175.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -70.74 -32.05 69.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.68 -175.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.0 62.96 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.308 1.005 . . . . 0.0 112.096 -179.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.541 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.55 -33.53 75.24 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 118.937 -1.105 . . . . 0.0 110.184 175.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.13 -39.21 0.11 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 118.669 -1.729 . . . . 0.0 113.156 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.58 146.09 37.12 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.496 1.141 . . . . 0.0 112.391 -166.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.94 -49.26 20.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.267 -2.242 . . . . 0.0 109.821 178.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -145.06 148.83 34.11 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.818 -165.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -123.31 114.01 40.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.896 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -89.88 116.77 67.16 Favored Pre-proline 0 C--N 1.36 1.048 0 O-C-N 124.263 0.977 . . . . 0.0 110.547 168.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -57.57 177.46 0.22 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 N-CA-C 116.462 1.678 . . . . 0.0 116.462 169.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.57 120.29 7.95 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.614 1.542 . . . . 0.0 113.661 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.06 44.21 37.0 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.448 -1.705 . . . . 0.0 112.989 173.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -81.37 137.2 35.74 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.619 -1.29 . . . . 0.0 108.648 172.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 p -55.04 160.21 3.27 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 112.165 -2.289 . . . . 0.0 109.994 170.38 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.11 -11.97 9.64 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 O-C-N 122.85 0.921 . . . . 0.0 113.45 171.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -69.75 -29.92 67.38 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.056 0.847 . . . . 0.0 110.468 -176.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.95 -37.4 75.82 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.948 174.829 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.9 m -79.57 -33.06 42.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.521 2.388 . . . . 0.0 109.158 -169.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 66.4 mt -75.12 -42.25 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 126.386 2.304 . . . . 0.0 109.885 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.22 -30.93 63.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.084 -1.871 . . . . 0.0 110.625 175.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 125' ' ' THR . 67.3 t0 -65.45 -48.54 72.36 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 112.75 -2.023 . . . . 0.0 112.651 171.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.6 ptp -68.52 -28.94 67.44 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.731 0.696 . . . . 0.0 112.472 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -68.17 -57.1 6.58 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.561 177.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.08 -37.71 77.74 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.514 -177.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.68 -47.05 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.833 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.3 mt -89.62 3.23 53.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 124.326 1.016 . . . . 0.0 111.987 -167.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.28 61.16 1.41 Allowed Glycine 0 C--N 1.354 1.561 0 O-C-N 124.214 0.946 . . . . 0.0 110.925 175.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.98 157.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 112.227 -1.986 . . . . 0.0 107.292 -175.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.95 175.785 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttm . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 123.28 1.514 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.88 135.09 54.58 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 109.597 -3.456 . . . . 0.0 108.207 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.641 HG22 ' HB2' ' A' ' 55' ' ' ALA . 13.4 m -101.94 123.35 45.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.373 -2.649 . . . . 0.0 107.928 -178.388 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -122.01 147.21 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 129.896 3.278 . . . . 0.0 104.243 170.883 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 35' ' ' VAL 0.282 2.3 t -130.14 130.98 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 108.719 -3.855 . . . . 0.0 103.524 -174.362 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.33 129.15 39.11 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 116.859 -1.936 . . . . 0.0 109.761 166.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.89 145.83 16.11 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 111.18 -2.736 . . . . 0.0 109.293 174.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.0 t -97.85 120.48 47.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 tt -109.22 136.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 125.24 1.588 . . . . 0.0 109.52 -168.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 1.316 0 CA-C-N 112.798 -2.001 . . . . 0.0 109.104 -175.671 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.58 ' N ' ' HG1' ' A' ' 28' ' ' THR . 30.2 t60 . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 122.911 1.339 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -124.62 -47.95 1.82 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 111.041 -2.8 . . . . 0.0 106.496 162.114 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -74.49 -43.26 56.83 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 112.351 -2.204 . . . . 0.0 109.004 175.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.58 ' HG1' ' N ' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -63.86 -37.07 86.02 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 112.799 -2.001 . . . . 0.0 110.296 174.096 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -89.28 19.05 4.6 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.08 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.53 4.5 52.0 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.159 176.233 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.93 74.38 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.246 -171.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -100.45 153.14 19.6 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -78.86 104.79 9.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 165.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.4 t -127.07 113.68 33.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.88 -173.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.95 110.95 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 110.899 -2.864 . . . . 0.0 107.551 165.653 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -85.88 97.96 10.51 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.989 -1.914 . . . . 0.0 107.131 171.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -22.53 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.58 176.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.17 -87.24 1.03 Allowed Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.217 -1.81 . . . . 0.0 112.289 151.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.14 170.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 112.482 -1.859 . . . . 0.0 110.217 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.95 144.7 4.46 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.581 -3.009 . . . . 0.0 112.666 -175.852 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -157.29 -79.33 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 111.255 -2.702 . . . . 0.0 108.471 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t 170.03 155.09 0.05 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.877 1.36 . . . . 0.0 108.112 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 88.6 mt-30 -48.01 -55.02 11.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.654 -1.165 . . . . 0.0 111.712 170.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.27 -16.44 45.54 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.935 1.397 . . . . 0.0 112.76 -176.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.34 -31.8 15.94 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.188 -177.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -40.45 49.88 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 123.618 1.675 . . . . 0.0 111.669 176.523 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.9 mt -49.85 -37.12 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 109.513 -3.494 . . . . 0.0 112.247 158.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.29 -28.81 67.51 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.195 -179.024 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.43 77.42 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.316 1.01 . . . . 0.0 109.824 163.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -30.29 66.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 176.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.64 -37.29 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.644 174.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.21 -50.26 28.93 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.003 -172.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.632 ' HB ' HG21 ' A' ' 5' ' ' THR . 18.9 p -105.09 -25.73 12.4 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 113.471 -1.695 . . . . 0.0 112.946 -169.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 88.03 62.01 0.01 OUTLIER 'General case' 0 C--N 1.346 0.417 0 O-C-N 125.748 1.905 . . . . 0.0 109.975 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -85.37 122.43 29.51 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.639 -174.528 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.44 -14.81 48.24 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 126.118 2.136 . . . . 0.0 109.281 172.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.45 144.34 44.35 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 124.383 2.04 . . . . 0.0 112.17 167.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.538 ' HB ' HD22 ' A' ' 88' ' ' LEU . 15.6 mt -132.14 120.7 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 1 CA-C-N 108.32 -4.037 . . . . 0.0 108.112 -177.541 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.01 140.89 36.69 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.688 175.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.22 121.45 37.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 111.303 -2.68 . . . . 0.0 105.382 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.44 113.18 23.38 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 113.511 -1.677 . . . . 0.0 108.747 -173.171 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.84 126.23 47.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.353 0.741 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.678 -175.149 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.783 0 CA-C-O 120.096 -0.28 . . . . 0.0 113.569 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.2 -31.24 71.49 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 117.271 -1.772 . . . . 0.0 110.342 176.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -91.21 -44.49 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.202 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -77.53 -56.21 4.72 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.463 -172.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.09 -37.3 46.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.045 -2.343 . . . . 0.0 111.373 -163.064 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.52 116.82 5.02 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.108 -168.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.33 32.55 31.0 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 112.616 -2.084 . . . . 0.0 112.104 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.76 -27.83 58.21 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 125.006 1.062 . . . . 0.0 112.663 162.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 64.9 ttp85 -73.23 -37.42 66.39 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 116.585 -2.046 . . . . 0.0 109.262 175.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.438 15.1 tp10 -77.57 -26.21 50.64 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.263 1.1 tpmt? -76.2 -29.43 57.62 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 125.255 1.597 . . . . 0.0 112.019 167.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.812 ' SG ' HG22 ' A' ' 86' ' ' ILE . 14.5 p -77.13 -43.01 35.64 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 123.485 1.612 . . . . 0.0 110.083 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.07 -37.57 87.91 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 109.476 -3.511 . . . . 0.0 108.469 176.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 29.1 mm-40 -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 112.354 -2.203 . . . . 0.0 113.485 175.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -0.11 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.92 -177.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.68 37.85 18.58 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 120.06 -1.067 . . . . 0.0 110.963 -177.366 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.12 -165.32 1.3 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.039 -2.081 . . . . 0.0 105.846 171.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 86' ' ' ILE 0.326 61.6 mmtt -70.83 -173.42 0.78 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.445 -2.161 . . . . 0.0 114.243 -175.654 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.21 49.98 1.49 Allowed Glycine 0 C--N 1.345 1.045 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 158.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.812 HG22 ' SG ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -63.74 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.732 -3.734 . . . . 0.0 106.925 -167.187 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -87.47 117.03 25.99 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 109.768 -3.378 . . . . 0.0 108.226 -159.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.544 HD21 ' CG2' ' A' ' 86' ' ' ILE . 21.6 mt -110.65 140.34 45.09 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 113.424 -1.716 . . . . 0.0 110.952 -163.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -107.67 145.34 33.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 110.565 -3.016 . . . . 0.0 107.103 172.058 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.25 123.96 34.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 114.235 -1.348 . . . . 0.0 108.157 170.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.19 152.17 17.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.334 -164.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.84 -134.91 13.85 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-N 110.817 -2.692 . . . . 0.0 110.406 174.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -74.97 145.71 42.3 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.756 -1.722 . . . . 0.0 107.179 164.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt -147.88 -36.16 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.543 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.352 0.694 0 CA-C-O 123.62 1.676 . . . . 0.0 108.922 -176.323 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.5 1.5 m-90 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 119.572 3.175 . . . . 0.0 119.572 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.88 -50.56 11.5 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.41 1.182 . . . . 0.0 115.165 169.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.06 -35.64 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 113.475 -1.693 . . . . 0.0 112.681 177.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.73 -43.88 76.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.82 -173.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -71.91 -28.24 63.36 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.088 177.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -58.57 -42.81 88.79 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.978 172.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -72.91 -50.12 25.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.965 -177.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -71.21 -46.43 61.22 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.857 -1.519 . . . . 0.0 111.59 -170.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -75.47 -28.83 59.4 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.016 -1.902 . . . . 0.0 112.235 -175.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.14 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.485 1.116 . . . . 0.0 111.169 175.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -43.86 96.09 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.925 174.141 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.468 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 163.8 -11.46 0.09 OUTLIER Glycine 0 C--N 1.355 1.621 0 C-N-CA 118.72 -1.705 . . . . 0.0 114.217 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.24 135.14 51.53 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 122.59 1.186 . . . . 0.0 111.182 -176.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.7 -56.97 6.41 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 111.768 -2.469 . . . . 0.0 109.848 -177.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.2 156.01 43.6 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.787 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.22 139.0 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 112.557 -2.11 . . . . 0.0 110.021 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -106.58 126.14 31.09 Favored Pre-proline 0 C--N 1.359 1.004 0 O-C-N 124.867 1.354 . . . . 0.0 109.845 164.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.96 177.06 0.75 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 121.352 1.368 . . . . 0.0 114.067 167.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.97 119.05 4.95 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.006 1.138 . . . . 0.0 110.971 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.01 41.35 3.08 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.892 178.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 137.13 40.78 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.588 -1.306 . . . . 0.0 109.436 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -59.97 160.16 17.22 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.222 170.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.16 -13.39 8.96 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 120.898 1.066 . . . . 0.0 114.773 170.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.82 -29.67 70.64 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.543 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.446 -1.707 . . . . 0.0 113.006 176.6 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 m -79.59 -34.49 40.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 127.244 2.84 . . . . 0.0 109.74 -171.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.18 -40.24 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 111.373 -2.648 . . . . 0.0 109.921 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.87 63.82 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.095 -1.866 . . . . 0.0 110.047 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 5.9 t0 -56.79 -55.41 34.69 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 112.492 -2.14 . . . . 0.0 112.383 171.37 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -71.92 -33.86 68.61 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.336 1.022 . . . . 0.0 111.825 -173.251 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.39 -57.13 14.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.309 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.22 -30.96 70.15 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.937 -176.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.18 -39.0 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.166 177.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.8 -5.63 59.05 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.801 1.313 . . . . 0.0 110.403 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.94 59.34 10.31 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.001 172.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.48 135.91 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 111.962 -2.119 . . . . 0.0 109.815 -170.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.351 0.633 0 CA-C-N 112.872 -1.967 . . . . 0.0 109.053 -175.8 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -112.68 109.64 19.29 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.869 1.356 . . . . 0.0 109.288 176.06 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -89.45 115.93 27.25 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 110.42 -3.082 . . . . 0.0 106.917 175.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.555 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -105.92 149.23 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.905 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 165.454 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.576 HG13 HG21 ' A' ' 37' ' ' ILE 0.29 0.9 OUTLIER -130.29 130.76 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.659 -3.882 . . . . 0.0 103.498 -173.465 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.55 128.99 38.44 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.162 166.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.7 145.93 16.18 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 111.732 -2.486 . . . . 0.0 109.032 173.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.47 120.74 47.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 118.231 -1.388 . . . . 0.0 107.787 175.184 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.53 144.14 18.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.079 -2.328 . . . . 0.0 110.99 -167.739 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.926 0 CA-C-N 110.48 -3.054 . . . . 0.0 112.243 160.679 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 121.674 0.75 . . . . 0.0 112.008 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.0 p -135.73 -51.93 0.74 Allowed 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.303 172.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -74.9 -47.81 28.0 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.958 -174.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -32.34 73.36 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.649 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -80.21 9.43 5.68 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.242 176.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 1.9 11.67 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 172.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.0 32.14 76.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 113.581 -1.645 . . . . 0.0 111.544 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 161.19 28.02 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 116.373 -2.131 . . . . 0.0 107.296 174.229 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -90.41 104.41 17.0 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 114.64 -2.824 . . . . 0.0 104.203 160.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.29 141.14 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 111.179 -2.737 . . . . 0.0 107.936 -169.938 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 114.98 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.392 -163.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -85.8 97.93 10.46 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 173.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -69.56 -28.49 37.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.552 -166.343 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.03 -175.22 18.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.888 177.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -88.2 125.07 41.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 111.176 -2.512 . . . . 0.0 108.887 174.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.68 150.3 2.15 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 112.797 -2.001 . . . . 0.0 109.651 166.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -104.67 61.54 0.71 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 112.386 -2.188 . . . . 0.0 107.419 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -160.74 113.34 1.97 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.281 -168.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 83.8 mt-30 -47.87 -51.52 22.72 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 112.378 -2.192 . . . . 0.0 112.956 168.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -23.6 56.44 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 124.645 1.215 . . . . 0.0 112.956 -171.488 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -79.13 -39.32 33.89 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.233 0.958 . . . . 0.0 111.688 177.095 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -38.13 56.7 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 123.002 1.382 . . . . 0.0 112.241 -176.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 1.5 mt -49.85 -39.9 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.916 160.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -71.19 -28.87 64.54 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.366 1.041 . . . . 0.0 111.109 -175.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.85 61.66 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 169.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.18 67.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 116.409 -2.116 . . . . 0.0 113.386 168.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.76 -42.13 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.839 173.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -77.09 -50.26 13.44 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.919 -1.491 . . . . 0.0 112.989 -169.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -99.59 -27.22 13.79 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 125.493 1.746 . . . . 0.0 113.788 -170.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 92.65 68.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 126.198 2.186 . . . . 0.0 110.989 167.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.95 133.63 56.24 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 110.933 -2.849 . . . . 0.0 112.081 -173.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.2 -34.37 15.84 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 112.812 -1.994 . . . . 0.0 108.831 159.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 6' ' ' ILE . 2.7 pt? -140.47 144.95 36.33 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.824 176.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 88' ' ' LEU . 79.0 mt -125.67 128.63 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 110.869 -2.878 . . . . 0.0 106.864 179.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.62 141.01 47.71 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.146 -177.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.02 121.74 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 110.729 -2.942 . . . . 0.0 106.62 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 112.69 25.22 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.292 178.487 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -100.77 116.62 33.1 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.262 -172.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.353 0.744 0 CA-C-N 110.914 -2.857 . . . . 0.0 110.276 -177.907 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.857 0 CA-C-O 122.109 0.838 . . . . 0.0 111.594 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -30.41 69.3 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 112.052 -2.074 . . . . 0.0 111.563 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.42 -44.33 41.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.857 -1.52 . . . . 0.0 110.614 -168.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -77.19 -31.21 55.23 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.663 -176.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -78.08 -26.43 48.14 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 119.221 -0.992 . . . . 0.0 112.624 -173.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.41 111.7 0.84 Allowed 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.447 1.092 . . . . 0.0 113.073 -162.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.69 37.88 44.42 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.869 175.208 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.66 -25.9 57.2 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 124.783 0.931 . . . . 0.0 112.687 164.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 4.4 tmm_? -73.04 -41.66 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 117.213 -1.795 . . . . 0.0 107.363 179.14 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.415 19.6 tt0 -77.27 -25.95 51.95 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 174.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.358 13.3 tppt? -76.11 -29.11 57.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 125.264 1.602 . . . . 0.0 113.046 166.172 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.85 -40.44 47.73 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 123.447 1.594 . . . . 0.0 110.705 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.252 3.9 m-20 -72.1 -30.02 64.67 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 110.183 -3.189 . . . . 0.0 111.388 175.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.38 -31.24 63.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 112.416 -2.174 . . . . 0.0 112.52 169.604 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 3.13 7.25 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.868 179.036 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.29 19.34 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 124.254 0.972 . . . . 0.0 110.943 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.533 ' HB3' HD13 ' A' ' 86' ' ' ILE . 20.0 mt -141.06 70.27 1.35 Allowed 'General case' 0 C--N 1.346 0.446 0 CA-C-N 111.925 -2.138 . . . . 0.0 106.799 -178.461 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 116.85 32.42 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.135 -2.302 . . . . 0.0 109.268 175.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.43 -20.47 2.24 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 111.367 -2.651 . . . . 0.0 108.12 -165.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -73.98 124.62 31.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 112.472 -1.864 . . . . 0.0 109.05 169.494 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.75 46.27 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.018 165.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 58' ' ' ILE . 8.3 mt -112.83 136.67 52.2 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 123.531 1.634 . . . . 0.0 112.63 -168.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.92 136.9 46.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 109.713 -3.403 . . . . 0.0 108.869 164.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.21 123.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 112.666 -2.061 . . . . 0.0 107.685 174.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.19 24.05 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.363 -177.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.1 45.01 0.83 Allowed Glycine 0 C--N 1.353 1.478 0 CA-C-N 111.884 -2.158 . . . . 0.0 111.585 172.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 69.09 131.01 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 O-C-N 125.444 1.32 . . . . 0.0 109.846 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -137.12 -55.72 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.899 -162.805 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t . . . . . 0 C--N 1.354 0.765 0 CA-C-O 123.533 1.635 . . . . 0.0 108.55 179.41 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.437 8.2 m-90 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 118.292 2.701 . . . . 0.0 118.292 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.93 -48.22 16.82 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-N 119.87 0.989 . . . . 0.0 114.159 170.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.82 -53.35 13.6 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.148 173.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.65 -59.15 4.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 O-C-N 124.821 1.326 . . . . 0.0 111.218 -167.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.12 -27.86 66.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.34 -177.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.61 -49.99 75.45 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 117.423 -1.711 . . . . 0.0 111.67 173.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -73.45 -36.89 65.95 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.651 1.22 . . . . 0.0 112.222 -175.067 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.61 -44.94 48.2 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.767 1.292 . . . . 0.0 110.145 -170.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -72.86 -28.89 62.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.655 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.15 93.17 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.683 1.239 . . . . 0.0 111.616 175.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -80.14 -20.92 43.8 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.518 1.136 . . . . 0.0 111.865 178.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.433 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 161.16 -38.65 0.42 Allowed Glycine 0 C--N 1.36 1.862 0 C-N-CA 117.325 -2.369 . . . . 0.0 115.612 171.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -50.99 146.13 6.52 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.651 1.215 . . . . 0.0 113.759 -169.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.15 -73.21 0.26 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.038 178.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.175 0.922 . . . . 0.0 110.285 178.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.8 t -119.82 125.91 74.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.447 -173.181 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.7 119.26 68.53 Favored Pre-proline 0 C--N 1.362 1.116 0 O-C-N 124.412 1.07 . . . . 0.0 111.881 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.3 176.39 0.81 Allowed 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 121.61 1.54 . . . . 0.0 115.428 170.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.29 123.48 7.75 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 121.151 1.234 . . . . 0.0 110.975 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.52 26.91 10.29 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 113.05 -1.886 . . . . 0.0 112.235 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -84.5 134.53 34.43 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 114.041 -1.079 . . . . 0.0 108.127 173.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -62.06 135.4 94.8 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 113.084 -1.871 . . . . 0.0 107.612 166.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 127' ' ' ILE . 22.9 Cg_exo -61.75 -12.27 24.5 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 N-CA-C 114.658 0.984 . . . . 0.0 114.658 174.57 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -70.61 -29.68 66.14 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.652 1.22 . . . . 0.0 111.66 -176.512 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -59.07 -31.9 69.3 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.476 -1.693 . . . . 0.0 113.112 172.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.1 m -79.55 -30.87 41.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.782 2.551 . . . . 0.0 108.622 -173.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 123' ' ' PRO . 2.6 mt -75.08 -39.08 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.962 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.8 63.69 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.025 -1.898 . . . . 0.0 110.384 173.02 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' THR . 15.6 t0 -59.67 -55.22 37.17 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 112.998 -1.91 . . . . 0.0 112.07 171.233 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptp -69.59 -28.98 66.41 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.128 0.893 . . . . 0.0 111.942 -173.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.34 -57.11 8.17 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.628 1.205 . . . . 0.0 109.369 174.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.35 -35.5 65.3 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.115 -1.402 . . . . 0.0 114.71 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.6 t -70.64 -47.12 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.387 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.6 15.95 8.62 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.536 1.148 . . . . 0.0 112.689 -170.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.1 56.42 5.26 Favored Glycine 0 C--N 1.354 1.557 0 CA-C-O 122.031 0.795 . . . . 0.0 111.748 175.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.63 167.81 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 112.29 -1.955 . . . . 0.0 106.819 -174.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.397 174.904 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 123.274 1.512 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -117.13 127.11 53.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 109.66 -3.427 . . . . 0.0 108.671 -175.172 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.487 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.2 m -94.57 131.23 40.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.38 -2.191 . . . . 0.0 107.374 173.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -118.57 149.35 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 C-N-CA 128.664 2.786 . . . . 0.0 104.856 168.086 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 58' ' ' ILE 0.257 1.3 t -130.06 134.74 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 108.549 -3.932 . . . . 0.0 104.052 -172.016 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 129.62 39.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 125.244 1.59 . . . . 0.0 108.606 172.4 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.16 145.1 16.02 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 168.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG12 HD11 ' A' ' 63' ' ' LEU . 90.6 t -97.63 120.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 178.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -110.66 137.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.001 -164.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-N 111.423 -2.626 . . . . 0.0 111.22 -173.407 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.8 t60 . . . . . 0 C--O 1.22 -0.463 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -81.78 -20.53 39.01 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 125.913 2.008 . . . . 0.0 110.54 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.73 -43.5 62.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.943 172.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -37.37 86.44 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.881 176.179 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -93.85 37.79 1.08 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.858 -1.973 . . . . 0.0 110.707 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.74 17.73 7.4 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.998 165.163 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.52 30.84 79.0 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-N 112.929 -1.941 . . . . 0.0 112.69 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -97.22 152.83 18.46 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 117.686 -1.605 . . . . 0.0 108.13 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -78.62 104.58 9.32 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.377 157.008 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.41 108.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 112.544 -2.116 . . . . 0.0 106.27 -174.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.4 t -101.01 110.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.373 -2.194 . . . . 0.0 107.921 -168.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.88 97.91 10.48 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 112.837 -1.983 . . . . 0.0 107.401 176.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.6 -35.23 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.061 -1.882 . . . . 0.0 110.681 -171.022 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.48 171.02 13.04 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.735 -1.575 . . . . 0.0 110.72 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -81.44 118.37 29.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 112.339 -1.93 . . . . 0.0 109.074 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.52 134.61 0.86 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 113.069 -1.878 . . . . 0.0 107.568 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.9 p -87.21 78.56 8.8 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.181 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 132.79 0.14 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.389 1.566 . . . . 0.0 112.979 171.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -50.8 -55.34 17.29 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.584 -3.007 . . . . 0.0 114.524 167.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -64.48 -17.95 64.32 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 118.879 -1.128 . . . . 0.0 111.905 -171.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -73.97 -43.73 57.17 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.441 173.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.3 -39.29 54.57 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.136 1.446 . . . . 0.0 113.107 -175.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.79 -33.49 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 109.96 -3.291 . . . . 0.0 112.809 161.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.47 -28.85 65.32 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.057 0.848 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.47 -28.72 63.09 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.684 1.24 . . . . 0.0 110.74 166.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.53 -30.23 66.92 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 116.048 -2.261 . . . . 0.0 113.044 167.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.86 -38.05 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.836 171.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.56 -50.39 14.01 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.868 -167.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' HG21 ' A' ' 5' ' ' THR . 22.4 p -99.86 -27.73 13.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 112.855 -1.975 . . . . 0.0 113.708 -172.607 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp 89.97 63.88 0.01 OUTLIER 'General case' 0 C--N 1.342 0.269 0 O-C-N 125.81 1.944 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.97 122.65 27.54 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 110.476 -3.056 . . . . 0.0 111.244 -171.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.09 -28.76 63.52 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 126.266 2.228 . . . . 0.0 110.222 173.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.2 144.68 36.71 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.14 177.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.562 ' HB ' HD22 ' A' ' 88' ' ' LEU . 32.6 mt -127.0 123.94 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 109.977 -3.283 . . . . 0.0 107.94 -175.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.9 t -115.17 114.86 25.84 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 112.667 -2.061 . . . . 0.0 110.443 -168.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.88 121.91 48.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.065 175.289 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 112.85 24.42 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 111.619 -2.537 . . . . 0.0 107.641 -175.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.447 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 55.8 m -100.63 154.78 18.3 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.987 -165.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 HD11 HG12 ' A' ' 10' ' ' VAL . 6.7 mp . . . . . 0 C--N 1.351 0.655 0 CA-C-N 111.278 -2.692 . . . . 0.0 108.045 175.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . . . . . . 0 CA--C 1.526 0.756 0 N-CA-C 109.794 -1.322 . . . . 0.0 109.794 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -27.91 39.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 110.785 -2.707 . . . . 0.0 111.813 -177.859 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -82.33 -44.52 19.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.46 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.32 -36.18 54.17 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.265 -171.183 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 27.6 p -78.06 -26.36 48.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 114.225 -1.352 . . . . 0.0 113.927 -170.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.7 111.95 6.56 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.09 -164.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.52 40.18 8.52 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 113.884 -1.507 . . . . 0.0 110.621 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 11.8 tp -75.38 -25.84 58.0 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 111.033 -2.583 . . . . 0.0 110.459 158.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' HD12 ' A' ' 88' ' ' LEU . 3.4 tmm_? -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.884 173.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.357 9.1 tp10 -77.32 -26.17 51.89 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 171.191 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -76.01 -29.45 58.15 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 125.605 1.815 . . . . 0.0 112.79 166.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -77.38 -39.25 47.96 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 125.369 1.668 . . . . 0.0 111.322 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.97 -37.96 75.94 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 109.607 -3.451 . . . . 0.0 108.357 174.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.276 28.2 mm-40 -73.22 -29.81 63.05 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.343 -2.208 . . . . 0.0 112.528 176.67 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -1.16 18.53 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.147 -1.842 . . . . 0.0 112.829 178.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.99 43.45 13.94 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 124.23 0.956 . . . . 0.0 110.723 179.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.1 mt -146.37 63.23 1.22 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 111.9 -2.15 . . . . 0.0 107.904 -177.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 124.6 47.71 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.619 -2.082 . . . . 0.0 110.66 -176.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.5 -27.96 2.58 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 107.475 -2.25 . . . . 0.0 107.475 -175.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 88' ' ' LEU . 36.7 mt -66.6 124.86 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 110.538 -2.831 . . . . 0.0 111.376 168.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.555 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.8 mppt? -95.79 136.53 36.08 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 110.985 -2.825 . . . . 0.0 108.863 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' ILE . 2.1 mt -122.28 137.04 54.98 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.127 -1.851 . . . . 0.0 111.642 -169.461 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -110.04 138.32 46.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 109.357 -3.565 . . . . 0.0 108.942 -178.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 9.8 p -128.27 123.8 60.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.57 171.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.96 151.05 20.83 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.202 -168.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.78 -131.64 10.8 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 110.961 -2.619 . . . . 0.0 111.168 166.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -89.32 68.39 7.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 112.364 -1.918 . . . . 0.0 110.204 -165.282 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 pt -97.84 -60.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.811 -159.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 104' ' ' VAL . 13.8 p . . . . . 0 C--N 1.358 0.973 0 CA-C-O 125.419 2.533 . . . . 0.0 113.232 -163.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.602 3.7 m-90 . . . . . 0 C--O 1.222 -0.374 0 N-CA-C 119.924 3.305 . . . . 0.0 119.924 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.08 -33.06 20.02 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 115.453 1.29 . . . . 0.0 115.453 171.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.15 -47.04 15.37 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.638 174.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 95' ' ' VAL . 58.1 t -65.73 -54.24 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.374 -171.094 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.36 -32.35 73.75 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.083 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.19 -50.04 75.57 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 117.468 -1.693 . . . . 0.0 111.829 173.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.95 -50.78 15.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.819 1.324 . . . . 0.0 112.658 -169.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.09 -38.44 90.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.57 -1.65 . . . . 0.0 109.584 -172.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -75.37 -28.5 59.54 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.557 -2.11 . . . . 0.0 112.656 174.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.2 70.17 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 123.948 0.78 . . . . 0.0 112.415 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -66.64 -55.09 16.82 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 117.779 -1.568 . . . . 0.0 109.753 170.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.5 20.04 0.1 OUTLIER Glycine 0 C--N 1.352 1.472 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.363 173.263 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.543 ' CZ ' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.21 146.25 30.58 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.24 -84.64 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 118.956 -1.098 . . . . 0.0 113.878 -164.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -145.18 155.98 43.6 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 121.619 0.723 . . . . 0.0 111.155 -167.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.78 128.72 75.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.814 -168.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.514 ' HB3' HG21 ' A' ' 121' ' ' THR . 7.7 m-85 -101.56 144.63 28.95 Favored Pre-proline 0 C--N 1.363 1.163 0 O-C-N 124.542 1.151 . . . . 0.0 113.135 168.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.22 176.89 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.071 2.514 . . . . 0.0 115.684 175.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.86 118.34 5.25 Favored 'Trans proline' 0 C--N 1.363 1.304 0 C-N-CA 121.543 1.495 . . . . 0.0 110.903 163.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.85 60.16 1.81 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.654 178.277 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.09 137.46 40.34 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.84 -1.68 . . . . 0.0 109.977 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.8 160.93 0.57 Allowed Pre-proline 0 CA--C 1.551 0.982 0 CA-C-N 112.398 -2.183 . . . . 0.0 110.883 159.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.04 -18.76 6.09 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 120.985 1.124 . . . . 0.0 112.862 173.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.72 67.44 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.27 -172.089 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -67.2 -36.37 81.57 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.027 178.648 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.69 -33.53 41.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 127.15 2.781 . . . . 0.0 109.599 -175.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 80.5 mt -75.46 -36.26 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 111.77 -2.468 . . . . 0.0 111.279 177.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.4 -30.87 63.55 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.956 170.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 1.1 t70 -58.97 -55.24 37.72 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.266 -2.243 . . . . 0.0 112.012 170.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -68.83 -28.8 67.06 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.127 0.892 . . . . 0.0 111.6 -178.02 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.31 -57.25 13.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.22 -34.74 59.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 112.874 -1.966 . . . . 0.0 114.777 -176.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.13 -47.09 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.18 -176.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.54 -16.83 60.22 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.732 1.27 . . . . 0.0 110.024 175.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.04 64.48 3.24 Favored Glycine 0 C--N 1.357 1.718 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.684 172.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.79 148.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 112.068 -2.066 . . . . 0.0 110.237 -163.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 112.852 -1.976 . . . . 0.0 110.139 179.505 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 123.058 1.409 . . . . 0.0 109.76 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -113.03 119.72 38.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 110.026 -3.261 . . . . 0.0 109.754 -169.451 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 55' ' ' ALA . 5.1 m -94.48 118.91 32.38 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 111.731 -2.486 . . . . 0.0 107.613 173.442 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -107.69 149.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.335 2.654 . . . . 0.0 105.058 163.189 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.434 HG13 HG21 ' A' ' 37' ' ' ILE 0.283 1.0 OUTLIER -130.3 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 CA-C-N 110.235 -3.166 . . . . 0.0 104.522 -171.93 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 1.4 pt? -132.75 129.3 38.47 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 116.911 -1.916 . . . . 0.0 110.919 170.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.92 145.27 15.89 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 167.402 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.75 120.74 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.605 HG21 ' SG ' ' A' ' 71' ' ' CYS . 13.6 tt -108.8 117.88 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 112.422 -2.172 . . . . 0.0 109.661 -159.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.277 0 CA-C-N 112.097 -2.32 . . . . 0.0 110.495 -179.705 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 m -75.84 146.53 39.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.799 168.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HB2' HG21 ' A' ' 34' ' ' VAL . 2.2 m-30 85.98 -41.05 0.04 OUTLIER 'General case' 0 C--N 1.351 0.669 0 CA-C-N 111.489 -2.596 . . . . 0.0 109.211 -178.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -26.62 67.69 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 112.378 -2.192 . . . . 0.0 109.747 162.195 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.61 -6.07 13.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.914 -2.403 . . . . 0.0 111.985 171.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.66 11.21 13.62 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 123.988 0.805 . . . . 0.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.36 74.7 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.438 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.56 161.32 27.96 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 116.234 -2.186 . . . . 0.0 109.594 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -79.22 103.9 9.47 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 114.722 -2.791 . . . . 0.0 104.437 154.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 27' ' ' PHE 0.303 0.3 OUTLIER -128.03 137.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 112.686 -2.052 . . . . 0.0 110.649 -178.99 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.12 110.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 112.073 -2.331 . . . . 0.0 108.557 -162.069 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -85.84 123.32 31.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.536 1.16 . . . . 0.0 108.787 176.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.434 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -97.09 -35.63 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 111.313 -2.676 . . . . 0.0 111.071 -160.278 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.42 140.03 2.78 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.443 -176.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 130.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.092 -2.054 . . . . 0.0 106.56 159.503 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.27 89.62 0.1 Allowed 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.78 -175.288 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 157.03 24.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.265 -2.698 . . . . 0.0 107.738 -172.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.16 174.68 5.75 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.963 -1.926 . . . . 0.0 109.049 -179.727 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 3.4 mm100 -47.85 -43.16 28.0 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 112.644 -2.071 . . . . 0.0 112.583 -178.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.21 -22.35 65.86 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 124.866 1.354 . . . . 0.0 112.791 -173.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -83.04 -40.44 19.92 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.763 1.289 . . . . 0.0 112.043 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -76.47 -34.11 58.69 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 123.187 1.47 . . . . 0.0 112.005 -177.15 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.419 HG13 ' SG ' ' A' ' 78' ' ' CYS . 11.5 mt -49.75 -49.49 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 109.58 -3.464 . . . . 0.0 110.682 159.086 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -70.32 -28.88 65.52 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.651 1.22 . . . . 0.0 112.25 -169.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -28.8 61.35 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.527 1.142 . . . . 0.0 111.564 171.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -75.7 -30.42 59.3 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 116.661 -2.016 . . . . 0.0 112.536 171.669 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.9 -36.49 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.221 174.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.04 -50.49 12.99 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.89 -171.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 p -103.08 -20.14 14.29 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 125.736 1.898 . . . . 0.0 115.418 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 97.74 54.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 125.748 1.905 . . . . 0.0 111.303 165.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -80.99 123.1 28.07 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 112.432 -2.167 . . . . 0.0 112.581 -169.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -89.91 -14.96 33.08 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.679 -2.055 . . . . 0.0 109.138 167.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 134' ' ' LEU 0.253 2.3 pt? -139.95 144.75 37.22 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.193 1.949 . . . . 0.0 112.85 171.751 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 88' ' ' LEU . 77.0 mt -130.81 107.91 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 108.547 -3.933 . . . . 0.0 107.452 -176.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 51.8 t -104.82 114.47 28.7 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.605 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.577 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.3 m -106.42 148.25 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.992 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -107.65 128.84 54.91 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.497 164.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.7 m -100.61 118.24 36.37 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.363 1.665 . . . . 0.0 107.218 172.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.348 0.516 0 CA-C-N 112.173 -2.285 . . . . 0.0 109.59 175.658 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.784 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -28.37 38.94 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 113.844 -1.178 . . . . 0.0 110.635 178.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.84 -44.18 76.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.946 -174.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.25 -56.11 4.84 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.551 177.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.605 ' SG ' HG21 ' A' ' 11' ' ' ILE . 68.0 m -66.89 -30.94 71.23 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.328 -1.306 . . . . 0.0 113.774 -164.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -57.53 114.01 2.05 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.303 1.002 . . . . 0.0 112.186 -174.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.21 58.39 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.759 177.425 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 tp -75.62 -26.51 57.87 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.794 0.938 . . . . 0.0 111.461 160.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.75 82.24 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.164 174.13 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.426 13.8 tp10 -77.67 -26.47 50.35 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 118.258 2.688 . . . . 0.0 118.258 178.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.306 44.1 tttp -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 125.349 1.655 . . . . 0.0 113.128 168.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HB2' HG21 ' A' ' 86' ' ' ILE . 91.3 m -77.38 -40.55 43.37 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 123.254 1.502 . . . . 0.0 111.519 175.526 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -63.73 -42.09 97.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 110.242 -3.163 . . . . 0.0 108.006 173.001 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.279 32.4 mt-10 -73.14 -29.7 63.06 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 112.143 -2.299 . . . . 0.0 112.674 -178.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.72 5.13 4.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.813 -177.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.86 42.74 8.04 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.908 172.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.65 -128.9 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 CA-C-N 112.37 -1.915 . . . . 0.0 106.188 173.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.253 0.9 OUTLIER -85.36 -170.61 3.21 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 123.655 1.693 . . . . 0.0 111.06 -172.909 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.07 56.59 2.14 Favored Glycine 0 N--CA 1.44 -1.1 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 150.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' A' ' 78' ' ' CYS 0.261 2.0 tt -63.64 127.17 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 109.649 -3.276 . . . . 0.0 110.184 -161.635 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.456 ' C ' HD23 ' A' ' 88' ' ' LEU . 62.6 mttp -87.75 116.78 26.14 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 109.579 -3.464 . . . . 0.0 106.572 -175.48 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 58' ' ' ILE . 3.2 mt -111.82 143.67 42.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 123.978 1.847 . . . . 0.0 108.804 -172.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -107.37 134.78 49.93 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 108.845 -3.798 . . . . 0.0 104.963 175.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.23 123.52 33.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 113.215 -1.811 . . . . 0.0 106.248 178.143 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.53 152.07 20.34 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.152 -163.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.47 -148.5 17.52 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 112.318 -1.941 . . . . 0.0 109.308 179.2 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.6 99.67 11.29 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 169.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.91 -18.8 6.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.047 -164.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.445 -0.708 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 161.299 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 117.633 2.457 . . . . 0.0 117.633 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -82.29 -52.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-O 122.755 1.065 . . . . 0.0 110.375 151.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.34 -38.46 30.49 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.845 -2.434 . . . . 0.0 112.324 -164.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.474 HG21 ' CZ3' ' A' ' 101' ' ' TRP . 46.8 t -78.09 -45.67 26.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 113.451 -1.704 . . . . 0.0 110.44 -157.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -74.27 -31.45 62.54 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.326 170.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.42 -43.52 68.04 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 117.735 -1.586 . . . . 0.0 112.003 172.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -50.07 12.77 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.125 -175.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -72.79 -43.38 62.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.222 -172.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -66.29 -28.65 68.86 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.233 175.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.59 -27.99 69.62 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 124.027 0.829 . . . . 0.0 112.854 173.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.24 -42.2 93.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.266 169.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.47 11.81 0.53 Allowed Glycine 0 CA--C 1.537 1.46 0 CA-C-N 112.775 -2.012 . . . . 0.0 112.616 171.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.14 140.78 58.9 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 122.456 1.122 . . . . 0.0 109.343 177.089 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.66 -60.96 2.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.837 -2.438 . . . . 0.0 110.035 -173.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -145.18 156.23 43.74 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.507 -1.678 . . . . 0.0 109.537 -174.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.7 t -123.04 128.62 75.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 112.937 -1.938 . . . . 0.0 110.026 176.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -89.31 145.91 35.01 Favored Pre-proline 0 C--N 1.357 0.91 0 O-C-N 124.775 1.297 . . . . 0.0 111.207 171.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -57.48 179.79 0.13 Allowed 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.78 2.32 . . . . 0.0 113.61 177.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -80.78 116.81 3.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 120.919 1.079 . . . . 0.0 110.15 168.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.64 69.44 1.39 Allowed Glycine 0 C--N 1.351 1.41 0 CA-C-N 113.32 -1.764 . . . . 0.0 111.407 179.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 137.48 40.35 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.255 -1.973 . . . . 0.0 111.105 -173.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.31 157.18 1.24 Allowed Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 112.307 -2.224 . . . . 0.0 110.92 161.777 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.08 -14.65 8.41 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 120.94 1.093 . . . . 0.0 113.175 173.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -29.94 66.48 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.42 -175.111 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.36 -36.99 80.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.134 177.863 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 m -79.47 -31.32 42.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 126.365 2.29 . . . . 0.0 109.607 -171.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.18 -42.85 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 O-C-N 126.742 2.526 . . . . 0.0 110.107 178.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.84 63.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.821 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 125' ' ' THR . 65.2 t0 -65.24 -49.74 68.48 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 126.36 2.287 . . . . 0.0 113.479 170.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -69.66 -28.95 66.32 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.374 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -70.86 -52.31 21.06 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.099 -177.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.09 -57.24 13.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 117.582 -1.647 . . . . 0.0 113.826 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.24 -30.33 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.236 -2.256 . . . . 0.0 114.278 -169.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 57' ' ' LEU . 49.6 mt -93.93 -12.12 29.5 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 124.07 0.856 . . . . 0.0 111.153 -177.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.23 80.22 1.36 Allowed Glycine 0 C--N 1.352 1.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.491 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -149.01 155.8 8.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 112.159 -2.021 . . . . 0.0 107.037 -175.101 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.541 0.631 0 CA-C-N 112.955 -1.929 . . . . 0.0 109.288 -178.568 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -92.04 109.92 21.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.824 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -79.94 137.74 36.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 111.02 -2.809 . . . . 0.0 107.214 172.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.82 149.06 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 CA-C-O 124.484 2.088 . . . . 0.0 105.52 168.267 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 37' ' ' ILE 0.352 3.9 t -130.52 116.58 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.207 1 CA-C-N 107.782 -4.281 . . . . 0.0 104.113 -175.739 . . . . . . . . 4 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.03 128.93 44.63 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 116.812 -1.955 . . . . 0.0 109.952 177.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -123.98 145.63 16.01 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 111.467 -2.606 . . . . 0.0 109.757 177.306 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 39' ' ' VAL . 2.8 p -97.89 120.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 125.181 1.166 . . . . 0.0 108.472 170.737 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -113.08 136.37 49.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 111.557 -2.565 . . . . 0.0 111.503 -160.704 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . . . . . . 0 C--N 1.345 1.048 0 CA-C-N 110.821 -2.899 . . . . 0.0 112.304 -179.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 125.006 2.336 . . . . 0.0 108.042 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.549 ' HB2' ' H ' ' A' ' 29' ' ' ASN . 63.0 p 179.39 -66.52 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 106.399 -4.91 . . . . 0.0 102.868 -176.305 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 7.7 m-85 75.75 -58.03 0.56 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 126.569 2.418 . . . . 0.0 106.124 -168.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -44.94 11.37 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 112.303 165.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.549 ' H ' ' HB2' ' A' ' 26' ' ' SER . 30.6 t30 -105.63 12.51 31.07 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 125.066 1.479 . . . . 0.0 110.861 -175.621 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.9 3.36 34.28 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 117.873 -1.531 . . . . 0.0 110.005 153.189 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.49 80.65 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.363 -174.164 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.89 145.61 25.44 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.97 104.68 9.78 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 179.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 27' ' ' PHE . 80.8 t -127.26 140.59 48.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 124.872 1.357 . . . . 0.0 109.715 -166.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.4 t -132.92 110.91 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 110.812 -2.904 . . . . 0.0 106.772 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -85.84 114.17 22.56 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.556 179.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 7' ' ' VAL . 14.5 mt -68.95 -15.39 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.922 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.75 -173.58 45.48 Favored Glycine 0 C--N 1.357 1.708 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -176.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' A' ' 10' ' ' VAL . 3.0 p -80.95 118.98 29.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.139 169.112 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -162.35 145.88 11.69 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 110.674 -2.966 . . . . 0.0 108.198 172.227 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 4.7 m -109.03 59.55 0.6 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 111.717 -2.492 . . . . 0.0 109.205 -174.079 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.87 123.51 3.66 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 112.655 -2.066 . . . . 0.0 110.999 -177.598 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.15 -28.75 3.12 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 111.609 -2.542 . . . . 0.0 113.334 163.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.083 0.864 . . . . 0.0 113.191 -171.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -84.08 -27.94 27.9 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.519 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.19 -33.63 59.29 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.783 1.278 . . . . 0.0 113.099 179.843 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.79 -48.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 111.012 -2.813 . . . . 0.0 110.23 158.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -72.89 -29.14 62.93 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.186 1.554 . . . . 0.0 113.262 -164.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.22 -28.66 61.36 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.603 170.05 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.22 65.37 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 116.621 -2.031 . . . . 0.0 112.98 167.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -67.09 -40.99 86.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.81 173.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.96 -50.27 15.39 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.924 -167.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 p -102.19 -27.76 12.69 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 125.685 1.866 . . . . 0.0 114.511 -172.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 86.54 72.74 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.218 0 O-C-N 125.982 2.051 . . . . 0.0 109.546 177.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 133.51 55.2 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 109.92 -3.309 . . . . 0.0 110.222 176.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.99 -28.5 19.07 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.316 -1.766 . . . . 0.0 108.407 163.092 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 2.6 pt? -140.6 145.02 36.13 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.879 173.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 45.5 mt -121.48 127.96 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 112.522 -2.126 . . . . 0.0 107.592 173.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.1 114.89 25.92 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.168 -175.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.41 121.95 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 112.244 -2.253 . . . . 0.0 107.85 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -110.41 112.81 24.99 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.833 -174.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -135.12 164.44 27.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 124.604 2.145 . . . . 0.0 113.1 -172.619 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 N--CA 1.444 -0.773 1 CA-C-N 107.901 -4.227 . . . . 0.0 110.322 -168.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.29 -33.71 37.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.624 -0.788 . . . . 0.0 110.806 173.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.79 -44.52 45.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 113.538 -1.664 . . . . 0.0 110.576 -163.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -77.74 -56.29 4.64 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.417 1.073 . . . . 0.0 112.296 168.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' HG21 ' A' ' 11' ' ' ILE . 7.5 m -72.68 -25.95 61.44 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 118.468 -1.293 . . . . 0.0 113.397 -154.727 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.53 113.57 3.78 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.126 -1.03 . . . . 0.0 110.231 178.328 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.66 33.77 37.13 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.148 -176.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.36 -25.79 58.01 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 125.29 1.229 . . . . 0.0 109.481 152.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -53.65 -57.04 12.21 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 124.652 1.22 . . . . 0.0 109.907 167.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.463 11.1 pt-20 -77.27 -25.67 51.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.323 70.7 mmtt -76.16 -29.41 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 125.09 1.494 . . . . 0.0 113.756 168.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.9 t -76.19 -42.81 45.15 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.811 1.767 . . . . 0.0 109.47 174.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.253 5.5 m-20 -72.31 -27.85 62.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 109.766 -3.379 . . . . 0.0 111.8 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.291 17.3 mm-40 -73.52 -32.98 64.53 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.624 -2.08 . . . . 0.0 112.293 169.84 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 5.96 3.77 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.905 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.71 34.91 33.46 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.813 175.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.613 ' HB3' HD13 ' A' ' 86' ' ' ILE . 23.2 mt -136.77 59.01 1.71 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.059 -2.07 . . . . 0.0 107.287 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -94.06 112.4 24.22 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.034 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.31 -23.24 1.09 Allowed Glycine 0 C--N 1.343 0.971 0 CA-C-N 111.131 -2.758 . . . . 0.0 108.333 -166.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -69.76 124.75 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 112.309 -1.945 . . . . 0.0 109.451 167.362 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.34 135.85 33.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.581 -3.009 . . . . 0.0 107.352 160.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.544 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 23.6 mt -110.0 134.03 52.56 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.9 1.333 . . . . 0.0 111.181 -178.048 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -107.72 136.21 47.84 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.066 -2.788 . . . . 0.0 105.726 166.122 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.12 123.55 34.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.691 -1.595 . . . . 0.0 107.254 177.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.6 144.78 16.81 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.376 -172.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.47 -148.62 19.03 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.571 -1.814 . . . . 0.0 110.013 179.12 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -92.73 74.8 4.98 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.384 -1.908 . . . . 0.0 106.486 165.227 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.8 pt -73.81 -15.77 16.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.381 -2.191 . . . . 0.0 112.207 -165.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 173.048 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.402 2.5 m-90 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 119.603 3.186 . . . . 0.0 119.603 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.56 -33.09 29.67 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 115.667 1.372 . . . . 0.0 115.667 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.2 -45.97 17.13 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 112.981 -1.918 . . . . 0.0 112.374 175.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.66 -51.98 45.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 O-C-N 124.584 1.177 . . . . 0.0 110.659 -171.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.51 -38.54 87.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 113.415 -1.721 . . . . 0.0 112.056 175.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.45 -38.58 87.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 118.423 -1.311 . . . . 0.0 112.365 175.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -74.57 -53.24 9.79 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.455 -170.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -75.12 -45.87 38.17 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.214 -172.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.84 -28.8 64.87 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.059 -174.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.534 1.146 . . . . 0.0 111.387 173.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.3 ptm -79.55 1.63 25.18 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.565 1.166 . . . . 0.0 113.091 177.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 138.49 -25.14 2.87 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 124.307 1.004 . . . . 0.0 114.144 159.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -52.52 143.62 15.22 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 122.582 1.182 . . . . 0.0 112.362 -170.109 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.67 -61.98 1.56 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 112.035 -2.348 . . . . 0.0 109.054 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -145.37 156.21 43.64 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.731 1.269 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.6 t -107.28 113.96 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 111.376 -2.647 . . . . 0.0 109.05 176.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -97.84 147.16 32.66 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 113.211 -1.813 . . . . 0.0 109.776 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.59 179.05 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 121.823 1.682 . . . . 0.0 114.336 176.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -86.3 124.27 2.39 Favored 'Trans proline' 0 C--N 1.362 1.239 0 C-N-CA 122.218 1.945 . . . . 0.0 108.937 160.225 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.25 42.9 7.74 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 113.45 -1.704 . . . . 0.0 111.416 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 137.37 41.42 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 112.793 -1.704 . . . . 0.0 108.992 171.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.39 128.81 83.2 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.624 159.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -77.92 -10.37 16.76 Favored 'Trans proline' 0 C--N 1.355 0.897 0 N-CA-C 114.938 1.092 . . . . 0.0 114.938 -178.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.274 0.984 . . . . 0.0 110.357 176.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -61.15 -33.51 73.53 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.873 -1.512 . . . . 0.0 113.021 173.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.27 -32.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 125.37 1.669 . . . . 0.0 108.708 -172.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.0 -40.44 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.826 -177.038 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.03 63.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.298 -1.773 . . . . 0.0 110.988 171.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.272 10.4 t70 -74.25 -28.93 61.46 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 117.294 -1.763 . . . . 0.0 113.537 175.764 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 14.1 ptp -77.94 -29.0 49.7 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.393 174.022 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -57.03 9.65 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.463 -1.295 . . . . 0.0 108.856 173.214 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -49.73 -43.47 47.82 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 113.021 -1.9 . . . . 0.0 114.952 177.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.81 -39.68 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.978 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.26 27.46 5.15 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.17 0.919 . . . . 0.0 111.814 -169.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.02 54.02 7.4 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.473 172.564 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.73 159.12 4.68 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 112.83 -1.685 . . . . 0.0 106.999 -176.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 CA--C 1.549 0.93 0 O-C-N 124.771 1.295 . . . . 0.0 111.176 175.362 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.1 mtt . . . . . 0 CA--C 1.535 0.39 0 CA-C-O 121.611 0.72 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.83 -49.6 29.31 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 113.214 -1.812 . . . . 0.0 110.564 -171.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.5 165.44 19.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 112.663 -2.062 . . . . 0.0 108.027 -178.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -91.75 109.99 21.32 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.102 -1.863 . . . . 0.0 107.823 171.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 10.5 m -99.71 130.64 45.94 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 111.638 -2.528 . . . . 0.0 107.079 166.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -106.54 144.29 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.656 0 N-CA-C 103.482 -2.784 . . . . 0.0 103.482 164.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.754 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.332 2.5 t -130.27 116.36 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.669 0 CA-C-N 110.553 -3.021 . . . . 0.0 103.786 -176.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.15 129.07 55.31 Favored 'General case' 0 C--N 1.362 1.145 0 C-N-CA 118.331 -1.347 . . . . 0.0 108.614 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.552 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.13 145.71 16.0 Favored Glycine 0 C--N 1.352 1.462 0 CA-C-N 113.073 -1.876 . . . . 0.0 109.323 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 t -97.19 120.67 46.82 Favored 'Isoleucine or valine' 0 C--N 1.346 0.456 0 C-N-CA 116.864 -1.935 . . . . 0.0 105.88 173.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.1 tt -96.8 129.18 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 CA-C-N 110.787 -2.915 . . . . 0.0 108.589 -158.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 77.08 -176.58 53.16 Favored Glycine 0 C--N 1.348 1.223 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.404 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.8 p -87.02 -164.16 1.03 Allowed 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 113.14 -1.53 . . . . 0.0 109.327 -175.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 38.3 t70 57.36 62.35 2.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.598 -1.637 . . . . 0.0 109.854 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.4 p -164.28 108.42 0.96 Allowed 'General case' 0 C--N 1.35 0.614 0 CA-C-N 111.8 -2.454 . . . . 0.0 108.901 -173.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -76.65 -68.18 0.62 Allowed 'General case' 0 C--N 1.351 0.664 0 CA-C-N 113.189 -1.823 . . . . 0.0 108.431 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 176.13 27.0 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 111.905 -2.407 . . . . 0.0 109.206 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -79.94 120.39 31.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.821 0 CA-C-N 114.658 -1.155 . . . . 0.0 109.161 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.28 31.29 76.85 Favored Glycine 0 CA--C 1.538 1.531 0 CA-C-N 113.427 -1.715 . . . . 0.0 111.543 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -163.7 55.41 0.17 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 112.854 -1.673 . . . . 0.0 107.596 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -149.21 -37.58 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 CA-C-N 112.164 -2.289 . . . . 0.0 109.251 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.8 -15.81 8.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 113.241 -1.799 . . . . 0.0 109.748 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.1 -25.79 59.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 113.946 -1.479 . . . . 0.0 111.063 174.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -78.52 -39.72 37.2 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.323 167.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -57.38 -31.98 66.35 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 125.022 1.451 . . . . 0.0 112.25 -177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -63.57 -43.32 97.37 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 125.106 1.504 . . . . 0.0 111.93 -178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -75.36 -36.9 60.89 Favored 'General case' 0 C--N 1.349 0.548 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.724 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -37.99 84.97 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.868 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -67.56 -20.45 65.4 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 111.886 -2.416 . . . . 0.0 112.604 173.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 6.13 16.81 Favored 'General case' 0 C--N 1.359 0.998 0 O-C-N 123.737 0.648 . . . . 0.0 110.856 -170.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 79.05 17.73 76.27 Favored Glycine 0 C--N 1.353 1.491 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.007 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -96.01 151.15 19.7 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 117.511 -1.676 . . . . 0.0 108.012 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -77.98 109.76 12.32 Favored 'General case' 0 C--N 1.356 0.884 0 N-CA-C 105.679 -1.971 . . . . 0.0 105.679 164.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.7 t -125.69 109.04 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 113.604 -1.634 . . . . 0.0 108.79 -172.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.93 114.08 27.74 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 111.186 -2.734 . . . . 0.0 107.451 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -85.87 103.55 14.71 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.514 -1.676 . . . . 0.0 107.223 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.754 HD11 ' CG1' ' A' ' 7' ' ' VAL . 27.0 mt -68.96 -24.64 28.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 111.938 -2.392 . . . . 0.0 110.437 -173.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.53 149.66 8.97 Favored Glycine 0 C--N 1.354 1.573 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.784 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.7 t -80.95 131.4 34.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 CA-C-N 113.734 -1.233 . . . . 0.0 107.712 175.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.2 tp 64.41 106.75 0.03 OUTLIER 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.61 1.819 . . . . 0.0 108.774 -161.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -162.44 141.93 9.4 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 112.501 -2.136 . . . . 0.0 108.465 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 p -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.645 -2.071 . . . . 0.0 109.046 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.598 ' HB3' HD13 ' A' ' 74' ' ' LEU . 18.1 mt-30 -63.43 -28.5 70.02 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 113.416 -1.72 . . . . 0.0 114.631 177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.99 -14.69 63.17 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 117.614 -1.634 . . . . 0.0 112.162 173.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -84.1 -29.57 26.67 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 124.187 0.93 . . . . 0.0 111.575 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -75.86 -43.23 46.68 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 123.513 1.625 . . . . 0.0 111.089 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.83 -39.66 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 CA-C-N 109.579 -3.464 . . . . 0.0 111.205 162.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.81 -33.65 68.69 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.437 1.086 . . . . 0.0 111.641 -176.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.951 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.66 -28.99 68.18 Favored 'General case' 0 CA--C 1.493 -1.229 0 CA-C-O 116.75 -1.595 . . . . 0.0 110.809 169.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -76.48 -30.61 57.35 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.7 -1.2 . . . . 0.0 113.448 174.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.07 -37.46 79.34 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.684 -0.806 . . . . 0.0 109.032 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -73.91 -50.91 17.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.958 -173.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 2.4 t -87.39 -45.07 10.88 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 111.795 -2.457 . . . . 0.0 112.658 -170.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' N ' HG23 ' A' ' 53' ' ' THR . 53.1 mtpt 90.6 78.45 0.01 OUTLIER 'General case' 0 C--N 1.349 0.548 0 CA-C-N 110.652 -2.976 . . . . 0.0 109.881 -159.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.37 133.94 51.52 Favored 'General case' 0 C--N 1.359 0.999 0 CA-C-N 112.337 -2.21 . . . . 0.0 108.867 175.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.34 -28.01 19.0 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 123.967 0.792 . . . . 0.0 110.112 161.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.587 HD22 HD11 ' A' ' 134' ' ' LEU 0.269 2.4 pt? -140.5 145.08 36.4 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 114.221 -1.354 . . . . 0.0 111.397 -179.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.589 ' HB ' HD22 ' A' ' 88' ' ' LEU . 52.6 mt -132.07 115.93 28.24 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.345 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 61.2 m -97.79 141.16 31.13 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 111.333 -2.667 . . . . 0.0 110.166 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 46' ' ' PHE . 3.0 m -115.57 141.53 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 112.166 -2.288 . . . . 0.0 107.685 166.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.27 112.98 23.25 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.3 -179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.7 m -104.35 125.79 50.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 113.972 -1.467 . . . . 0.0 108.044 -173.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.2 mt -133.88 34.0 3.41 Favored 'General case' 0 C--N 1.353 0.738 0 O-C-N 124.582 1.176 . . . . 0.0 110.047 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -160.66 1.56 0.07 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.565 -1.198 . . . . 0.0 113.724 -163.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.91 16.39 78.26 Favored Glycine 0 C--N 1.352 1.469 0 C-N-CA 120.667 -0.778 . . . . 0.0 113.829 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -135.44 32.65 3.07 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 122.408 1.099 . . . . 0.0 110.343 -175.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -56.59 -45.02 90.78 Favored Glycine 0 C--N 1.349 1.278 0 CA-C-N 112.354 -2.203 . . . . 0.0 111.966 -177.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -71.8 -30.98 66.1 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 112.406 -1.897 . . . . 0.0 111.751 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.8 mm -63.51 -44.45 98.74 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 CA-C-N 113.504 -1.68 . . . . 0.0 110.864 -165.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -77.65 -52.05 9.63 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.544 1.152 . . . . 0.0 112.101 164.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.6 p -66.66 -27.61 67.8 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -149.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -49.87 114.85 1.17 Allowed 'General case' 0 CA--C 1.545 0.78 0 O-C-N 125.192 1.557 . . . . 0.0 112.528 -170.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.29 36.19 18.29 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 112.215 -2.266 . . . . 0.0 112.346 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.598 HD13 ' HB3' ' A' ' 43' ' ' GLN . 27.7 tp -75.47 -25.9 57.77 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 125.02 1.071 . . . . 0.0 111.777 156.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -66.26 -41.25 90.19 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 117.184 -1.806 . . . . 0.0 108.391 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.431 2.4 tm-20 -77.45 -26.19 51.26 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 174.003 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.33 17.2 ttpp -76.0 -28.82 57.94 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.024 1.453 . . . . 0.0 112.997 167.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.408 ' SG ' HD12 ' A' ' 58' ' ' ILE . 86.9 m -77.1 -38.04 53.11 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 125.275 1.61 . . . . 0.0 110.163 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.97 -45.04 91.51 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 110.492 -3.049 . . . . 0.0 110.017 171.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.349 1.6 pt-20 -73.28 -29.91 63.05 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 109.583 -3.462 . . . . 0.0 113.039 -178.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -0.43 16.07 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 112.784 -2.007 . . . . 0.0 112.801 -177.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.99 41.95 21.22 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-O 122.678 1.154 . . . . 0.0 110.307 -176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD13 ' HB3' ' A' ' 50' ' ' ALA . 18.4 mt -145.17 48.3 1.29 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.234 -2.483 . . . . 0.0 107.342 -174.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -91.16 125.47 35.95 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.402 -2.181 . . . . 0.0 109.687 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 138.33 -29.9 2.57 Favored Glycine 0 C--N 1.349 1.28 0 N-CA-C 107.123 -2.391 . . . . 0.0 107.123 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.6 mp -67.46 124.68 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-N 111.685 -2.257 . . . . 0.0 111.102 173.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.408 ' C ' HD23 ' A' ' 88' ' ' LEU . 49.5 mtmt -98.14 135.53 39.66 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 109.017 -3.72 . . . . 0.0 108.325 170.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.589 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.0 mt -110.02 148.29 31.95 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.278 1.513 . . . . 0.0 110.948 -172.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -107.69 145.43 33.42 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 109.924 -3.307 . . . . 0.0 106.851 168.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.12 123.71 34.59 Favored 'Isoleucine or valine' 0 C--N 1.348 0.513 0 CA-C-N 113.122 -1.854 . . . . 0.0 107.353 172.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.15 22.27 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.657 -1.611 . . . . 0.0 111.5 -171.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 113.06 -141.32 16.85 Favored Glycine 0 C--N 1.352 1.463 0 CA-C-N 112.235 -1.983 . . . . 0.0 110.733 172.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -82.57 71.93 9.64 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.952 -1.624 . . . . 0.0 108.302 171.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -68.71 -35.78 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 CA-C-N 110.254 -3.157 . . . . 0.0 111.254 -169.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 96' ' ' VAL . 61.1 t -126.37 176.7 6.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.423 0 N-CA-C 103.966 -2.605 . . . . 0.0 103.966 171.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.402 ' H ' HG12 ' A' ' 95' ' ' VAL . 57.4 t -61.21 101.59 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 O-C-N 124.427 1.079 . . . . 0.0 109.347 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 72.72 -98.95 0.88 Allowed Glycine 0 C--N 1.354 1.566 0 CA-C-N 112.825 -1.989 . . . . 0.0 108.788 -161.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.4 129.63 0.7 Allowed 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.332 -1.934 . . . . 0.0 107.965 166.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -73.8 -112.88 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 114.033 -1.439 . . . . 0.0 110.291 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -147.34 106.98 3.93 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.525 -174.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.334 1.6 m-90 -7.47 -58.41 0.01 OUTLIER Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 168.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.85 -40.5 84.79 Favored 'Trans proline' 0 CA--C 1.549 1.264 0 CA-C-N 120.278 1.135 . . . . 0.0 114.764 178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -80.05 -36.67 35.37 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 112.635 -2.075 . . . . 0.0 111.949 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.3 t -76.25 -44.94 36.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 113.881 -1.509 . . . . 0.0 110.974 -169.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -73.62 -27.91 61.53 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 114.049 -1.432 . . . . 0.0 111.155 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -61.26 -34.51 75.28 Favored 'General case' 0 C--N 1.356 0.879 0 C-N-CA 118.938 -1.105 . . . . 0.0 111.195 168.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -53.09 24.95 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.143 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -72.71 -45.63 57.75 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.906 -1.952 . . . . 0.0 112.088 -167.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -67.65 -28.83 68.05 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 113.202 -1.817 . . . . 0.0 112.25 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.38 84.5 Favored 'General case' 0 C--N 1.358 0.938 0 O-C-N 124.257 0.973 . . . . 0.0 111.726 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 82.8 mmm -74.06 -35.98 64.32 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.583 173.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 139.12 -17.05 3.19 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 113.817 -1.538 . . . . 0.0 112.99 176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -60.39 115.73 3.77 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 122.032 0.92 . . . . 0.0 109.598 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.99 -38.97 63.98 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 112.253 -2.248 . . . . 0.0 111.498 -165.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -133.83 139.13 46.06 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.195 -1.82 . . . . 0.0 109.484 -168.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.3 t -123.22 113.8 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.313 -177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -90.77 142.45 27.74 Favored Pre-proline 0 C--N 1.36 1.027 0 O-C-N 124.516 1.135 . . . . 0.0 110.829 169.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -63.66 -177.11 0.38 Allowed 'Trans proline' 0 C--N 1.367 1.523 0 C-N-CA 122.08 1.854 . . . . 0.0 113.738 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -85.49 122.77 2.45 Favored 'Trans proline' 0 C--N 1.362 1.246 0 C-N-CA 121.866 1.711 . . . . 0.0 110.493 167.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.28 55.91 2.8 Favored Glycine 0 C--N 1.35 1.327 0 CA-C-N 113.078 -1.874 . . . . 0.0 110.874 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.1 137.37 37.72 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 112.143 -2.028 . . . . 0.0 108.902 -178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -54.62 141.28 55.95 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-N 113.205 -1.816 . . . . 0.0 109.157 162.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.25 -9.82 17.67 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 O-C-N 122.686 0.835 . . . . 0.0 112.548 173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.25 -29.92 71.16 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.361 1.038 . . . . 0.0 111.275 176.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -71.14 -37.24 72.27 Favored 'General case' 0 CA--C 1.502 -0.887 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.209 176.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.2 m -79.5 -32.11 42.38 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 126.38 2.3 . . . . 0.0 109.296 -170.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.9 mt -75.21 -41.99 44.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 O-C-N 126.415 2.322 . . . . 0.0 110.135 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.99 63.82 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.129 -1.851 . . . . 0.0 110.523 176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.2 t0 -63.91 -55.05 25.53 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.622 -2.081 . . . . 0.0 112.335 171.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.9 ptp -65.19 -29.34 70.15 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 112.613 0.598 . . . . 0.0 112.613 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -67.85 -57.07 6.88 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 118.709 -1.197 . . . . 0.0 109.88 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.43 -35.18 69.75 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 113.901 -1.5 . . . . 0.0 114.545 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -70.29 -42.75 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-N 113.949 -1.478 . . . . 0.0 111.919 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.587 HD11 HD22 ' A' ' 57' ' ' LEU . 27.8 mt -99.79 23.91 9.07 Favored 'General case' 0 C--N 1.353 0.749 0 O-C-N 124.322 1.013 . . . . 0.0 112.024 -166.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.67 52.64 6.37 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 114.888 -1.051 . . . . 0.0 112.223 173.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -148.68 160.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-N 112.726 -1.737 . . . . 0.0 106.743 -176.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.548 0.901 0 O-C-N 124.719 1.262 . . . . 0.0 111.232 174.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 CA-C-O 121.375 0.607 . . . . 0.0 111.389 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -72.84 -29.77 63.48 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.548 -1.66 . . . . 0.0 110.269 170.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.96 165.31 11.29 Favored 'General case' 0 C--N 1.348 0.541 0 CA-C-N 111.978 -2.374 . . . . 0.0 106.42 170.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -104.09 109.77 21.69 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 123.087 1.423 . . . . 0.0 109.449 175.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.2 m -90.74 129.51 36.82 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-N 109.986 -3.279 . . . . 0.0 106.369 173.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.47 HG12 HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -127.83 137.9 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 C-N-CA 126.676 1.99 . . . . 0.0 106.017 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.874 HG12 HD11 ' A' ' 37' ' ' ILE 0.299 16.7 t -130.26 116.57 36.86 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.902 0 CA-C-N 109.223 -3.626 . . . . 0.0 104.931 -170.739 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' C ' HD12 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -126.38 128.49 47.12 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 117.426 -1.71 . . . . 0.0 110.908 -176.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.537 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.48 146.15 16.1 Favored Glycine 0 C--N 1.346 1.1 0 CA-C-N 110.474 -3.057 . . . . 0.0 112.273 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.9 t -97.35 120.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.35 0.601 0 C-N-CA 116.984 -1.886 . . . . 0.0 106.245 160.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.9 tt -96.43 144.17 10.89 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 CA-C-N 111.807 -2.451 . . . . 0.0 107.714 -165.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.57 104.24 0.89 Allowed Glycine 0 C--N 1.345 1.061 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 -163.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.98 123.27 12.99 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 112.266 -1.967 . . . . 0.0 110.772 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.3 t70 71.01 98.44 0.07 Allowed 'General case' 0 C--N 1.352 0.7 0 CA-C-N 112.542 -2.117 . . . . 0.0 109.719 -173.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.9 m -156.72 149.12 23.32 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 112.733 -2.03 . . . . 0.0 108.522 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -87.57 8.5 24.83 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 112.965 -1.925 . . . . 0.0 114.122 -161.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.74 45.19 8.05 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.525 1.14 . . . . 0.0 113.48 165.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 p -57.38 -37.56 57.92 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 -176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.62 48.91 0.89 Allowed Glycine 0 C--N 1.345 1.056 0 CA-C-N 113.736 -1.575 . . . . 0.0 109.894 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -168.22 35.26 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.076 0 CA-C-N 112.718 -1.741 . . . . 0.0 109.301 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -141.78 103.84 4.42 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 114.503 -1.226 . . . . 0.0 108.21 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.8 mm 87.07 -34.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 112.444 -2.162 . . . . 0.0 109.754 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.0 tt -74.22 -34.31 63.65 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 112.326 -2.215 . . . . 0.0 111.713 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -69.67 -35.77 75.43 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 114.124 -1.398 . . . . 0.0 111.284 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -69.59 -31.71 70.02 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.026 -2.352 . . . . 0.0 110.948 176.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.3 p -55.91 -41.5 74.63 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.976 1.423 . . . . 0.0 113.631 -171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -75.05 -39.07 61.2 Favored 'General case' 0 C--N 1.347 0.496 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.238 -175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.84 -31.15 72.25 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 112.506 -2.133 . . . . 0.0 110.423 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -80.06 -20.7 44.62 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 112.005 -2.361 . . . . 0.0 112.075 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.72 2.33 49.0 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 123.948 0.78 . . . . 0.0 110.524 -168.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.35 24.32 77.05 Favored Glycine 0 C--N 1.355 1.599 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.837 -171.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.43 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -85.04 157.11 20.83 Favored 'General case' 0 C--N 1.362 1.124 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -179.206 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -80.99 104.84 11.77 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 116.123 -2.231 . . . . 0.0 106.318 174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 6' ' ' ILE . 12.0 t -127.23 115.93 42.42 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 O-C-N 124.969 1.418 . . . . 0.0 111.988 -171.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.97 110.8 22.79 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 111.294 -2.684 . . . . 0.0 106.677 159.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -93.43 105.18 17.27 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 113.92 -1.491 . . . . 0.0 107.421 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.874 HD11 HG12 ' A' ' 7' ' ' VAL . 2.6 mt -68.87 -31.26 49.93 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 CA-C-N 112.921 -1.945 . . . . 0.0 109.239 -177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.16 -163.29 50.5 Favored Glycine 0 C--N 1.356 1.64 0 CA-C-N 113.002 -1.908 . . . . 0.0 111.023 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.1 m -80.92 170.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.597 0 CA-C-N 112.783 -1.709 . . . . 0.0 108.959 174.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tm? 60.78 73.57 0.48 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.9 p -174.41 160.71 3.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 111.162 -2.745 . . . . 0.0 108.062 -167.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.1 m -153.14 173.41 15.54 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.916 171.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.622 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -52.31 -28.93 21.07 Favored 'General case' 0 C--N 1.349 0.554 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -164.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.93 -39.04 73.75 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 124.878 1.361 . . . . 0.0 112.106 173.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -76.39 -33.33 58.87 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 113.173 -1.831 . . . . 0.0 112.414 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.584 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.24 -35.22 59.09 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-O 123.508 1.623 . . . . 0.0 112.67 -177.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.2 mt -49.94 -45.32 22.31 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 CA-C-N 110.153 -3.203 . . . . 0.0 111.169 159.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -75.04 -28.96 60.65 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 124.764 1.29 . . . . 0.0 112.789 -171.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB3' ' CG1' ' A' ' 7' ' ' VAL . . . -74.19 -28.5 61.31 Favored 'General case' 0 C--O 1.218 -0.603 0 O-C-N 124.01 0.819 . . . . 0.0 110.536 168.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.27 65.66 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 117.289 -1.765 . . . . 0.0 113.101 165.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -67.46 -41.81 86.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 C-N-CA 118.851 -1.14 . . . . 0.0 109.665 172.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -75.24 -50.31 16.54 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.805 -168.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 16.8 p -101.64 -24.91 14.04 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 125.725 1.891 . . . . 0.0 114.851 -172.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.4 mttp 87.18 71.35 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.819 1.949 . . . . 0.0 109.776 172.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.05 135.67 57.7 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 109.8 -3.364 . . . . 0.0 111.034 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.28 -28.56 18.7 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 113.3 -1.773 . . . . 0.0 108.858 159.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.267 2.6 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.964 1.364 . . . . 0.0 112.617 176.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.52 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 28.2 mt -125.75 131.03 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 111.388 -2.642 . . . . 0.0 107.785 175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 76.3 m -111.85 139.85 46.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.379 -2.192 . . . . 0.0 109.684 -176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -135.05 121.79 34.61 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 111.752 -2.476 . . . . 0.0 106.824 -174.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 t -115.04 127.96 55.96 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 113.901 -1.5 . . . . 0.0 108.675 -173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.7 m -127.69 137.02 52.36 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.801 -1.999 . . . . 0.0 109.984 -163.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.34 -68.12 0.84 Allowed 'General case' 0 C--N 1.357 0.892 0 CA-C-N 112.82 -1.991 . . . . 0.0 112.245 -160.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.57 -41.89 59.71 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 122.515 1.15 . . . . 0.0 108.847 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.13 29.01 0.04 OUTLIER Glycine 0 C--N 1.35 1.351 0 CA-C-N 111.61 -2.541 . . . . 0.0 110.756 -161.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -92.47 23.83 3.78 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 113.703 -1.248 . . . . 0.0 112.369 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.49 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.12 -37.77 20.77 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 109.949 -1.26 . . . . 0.0 109.949 173.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -79.85 -29.89 40.22 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 118.388 -1.325 . . . . 0.0 109.754 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.1 mt -91.36 -45.54 14.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 C-N-CA 117.461 -1.696 . . . . 0.0 112.355 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -78.43 -56.71 4.23 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 118.289 -1.364 . . . . 0.0 113.526 177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 0.8 OUTLIER -78.39 -25.83 46.29 Favored 'General case' 0 C--N 1.357 0.907 0 CA-C-N 112.291 -2.231 . . . . 0.0 112.713 -156.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -62.12 124.5 21.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 113.527 -1.67 . . . . 0.0 111.619 -169.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.21 25.85 46.53 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 112.582 -2.099 . . . . 0.0 111.826 -172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.622 HD13 ' HB2' ' A' ' 43' ' ' GLN . 16.9 tp -75.6 -25.8 57.3 Favored 'General case' 0 C--N 1.35 0.615 0 O-C-N 124.414 0.714 . . . . 0.0 112.187 162.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 -64.82 -42.7 94.77 Favored 'General case' 0 C--N 1.353 0.721 0 C-N-CA 116.041 -2.264 . . . . 0.0 109.102 172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.345 30.1 mt-10 -77.6 -26.57 50.77 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 118.341 2.719 . . . . 0.0 118.341 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.287 75.3 mttt -76.49 -29.26 56.76 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 125.959 2.037 . . . . 0.0 113.337 165.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.5 t -77.14 -33.48 56.66 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-O 123.201 1.477 . . . . 0.0 110.84 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -65.24 -42.81 92.98 Favored 'General case' 0 CA--C 1.507 -0.708 0 CA-C-N 110.749 -2.932 . . . . 0.0 109.21 171.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.304 1.6 pt-20 -73.0 -29.87 63.36 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 109.83 -3.35 . . . . 0.0 111.938 -176.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 1.15 11.17 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.079 -2.328 . . . . 0.0 112.737 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 37.2 39.1 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB3' HD13 ' A' ' 86' ' ' ILE . 64.1 mt -142.24 48.72 1.56 Allowed 'General case' 0 C--N 1.347 0.46 0 CA-C-N 111.739 -2.231 . . . . 0.0 108.485 -171.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.69 113.2 23.15 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 113.2 -1.818 . . . . 0.0 108.917 171.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.54 -27.58 0.76 Allowed Glycine 0 C--N 1.343 0.969 0 CA-C-N 111.753 -2.476 . . . . 0.0 108.433 -169.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.91 124.92 20.74 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 111.839 -2.18 . . . . 0.0 109.948 167.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -87.85 134.02 33.78 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 110.648 -2.978 . . . . 0.0 107.67 162.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.52 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 17.5 mt -109.96 133.6 53.01 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-O 122.647 1.213 . . . . 0.0 111.132 -174.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 110.762 -2.926 . . . . 0.0 106.18 171.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.477 HG21 ' SG ' ' A' ' 71' ' ' CYS . 12.4 p -136.11 123.65 34.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.16 152.16 20.29 Favored Glycine 0 C--N 1.35 1.329 0 CA-C-N 113.537 -1.665 . . . . 0.0 111.501 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.38 -154.27 18.5 Favored Glycine 0 C--N 1.348 1.226 0 CA-C-N 111.498 -2.351 . . . . 0.0 109.699 178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -83.59 91.91 7.54 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 112.435 -1.883 . . . . 0.0 108.421 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.1 pt -93.73 -11.53 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 112.489 -2.142 . . . . 0.0 112.097 -172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 93.7 t -140.46 171.1 13.68 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -46.77 155.35 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 CA-C-N 112.082 -2.326 . . . . 0.0 109.902 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -36.77 -46.67 1.18 Allowed Glycine 0 CA--C 1.545 1.962 0 CA-C-N 113.852 -1.522 . . . . 0.0 113.533 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -78.36 110.23 13.22 Favored 'General case' 0 C--N 1.353 0.722 0 CA-C-N 113.131 -1.534 . . . . 0.0 109.205 163.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -158.61 133.43 8.27 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.86 -1.518 . . . . 0.0 108.733 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -137.94 86.04 2.15 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 113.032 -1.895 . . . . 0.0 110.281 -169.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.459 ' H ' ' HE3' ' A' ' 101' ' ' TRP 0.434 1.3 m-90 6.84 -62.37 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 119.983 3.327 . . . . 0.0 119.983 157.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.25 -42.45 67.36 Favored 'Trans proline' 0 CA--C 1.552 1.376 0 CA-C-N 120.831 1.333 . . . . 0.0 115.2 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -80.09 -38.34 31.91 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 112.672 -2.058 . . . . 0.0 112.102 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.72 -41.31 70.7 Favored 'Isoleucine or valine' 0 C--N 1.352 0.689 0 CA-C-N 113.991 -1.459 . . . . 0.0 110.915 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -74.03 -31.95 63.13 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.225 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -58.83 -39.39 81.08 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.636 1.21 . . . . 0.0 111.005 172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -76.62 -44.56 33.7 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 113.826 -1.534 . . . . 0.0 112.424 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.01 -42.9 56.47 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.571 1.17 . . . . 0.0 111.28 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -69.4 -28.99 66.64 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 113.09 -1.868 . . . . 0.0 112.023 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.54 -27.95 61.62 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 124.447 1.092 . . . . 0.0 111.072 175.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -39.47 83.68 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.697 -1.592 . . . . 0.0 109.743 173.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.43 -48.57 0.26 Allowed Glycine 0 C--N 1.351 1.402 0 CA-C-N 113.493 -1.685 . . . . 0.0 112.033 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -48.75 141.4 7.37 Favored 'General case' 0 C--N 1.358 0.942 0 O-C-N 125.126 1.133 . . . . 0.0 113.136 -160.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -69.04 -51.71 36.11 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.319 -2.219 . . . . 0.0 109.463 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -145.21 141.24 28.49 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.666 -2.061 . . . . 0.0 110.081 -169.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.0 t -123.31 113.91 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-N 112.634 -2.075 . . . . 0.0 109.729 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -91.48 143.4 28.08 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 114.032 -1.44 . . . . 0.0 110.671 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -54.53 176.19 0.12 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.097 2.531 . . . . 0.0 115.553 -175.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -80.27 112.2 2.75 Favored 'Trans proline' 0 C--N 1.363 1.29 0 N-CA-C 108.983 -1.199 . . . . 0.0 108.983 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 72.89 74.58 0.78 Allowed Glycine 0 C--N 1.351 1.416 0 CA-C-N 112.984 -1.917 . . . . 0.0 111.063 -173.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.49 137.85 33.11 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.445 -1.878 . . . . 0.0 109.683 -178.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.45 157.13 1.82 Allowed Pre-proline 0 CA--C 1.555 1.14 0 CA-C-N 113.654 -1.612 . . . . 0.0 111.028 159.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -83.08 -15.47 7.93 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.154 1.236 . . . . 0.0 114.065 173.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.4 -29.88 67.72 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.625 1.203 . . . . 0.0 110.885 -175.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.1 m -68.29 -39.04 82.21 Favored 'General case' 0 CA--C 1.499 -1.017 0 CA-C-N 113.467 -1.697 . . . . 0.0 112.47 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.8 m -79.44 -37.65 36.52 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 126.318 2.261 . . . . 0.0 108.603 -168.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 81.8 mt -72.88 -40.91 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 111.632 -2.531 . . . . 0.0 110.499 -177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.84 63.72 Favored 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.984 174.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -70.42 -37.78 74.49 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 116.599 -2.04 . . . . 0.0 113.314 173.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 10.5 ptp -72.91 -28.9 62.73 Favored 'General case' 0 C--N 1.36 1.025 0 CA-C-N 119.41 1.005 . . . . 0.0 111.958 174.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -63.95 -54.6 31.94 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.427 177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -70.68 -47.79 58.09 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 113.027 -1.897 . . . . 0.0 114.413 -175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.69 -38.17 72.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 124.461 1.101 . . . . 0.0 112.245 -170.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.6 mt -79.7 -13.5 59.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.523 1.139 . . . . 0.0 111.349 177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 76.56 81.48 0.57 Allowed Glycine 0 C--N 1.355 1.632 0 N-CA-C 110.177 -1.169 . . . . 0.0 110.177 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.7 t -143.56 157.86 16.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 CA-C-N 112.607 -1.797 . . . . 0.0 107.685 -170.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 CA--C 1.543 0.699 0 CA-C-N 112.461 -2.154 . . . . 0.0 110.243 -176.034 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.538 0.518 0 CA-C-O 122.001 0.905 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -115.37 74.09 0.87 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.943 -1.935 . . . . 0.0 108.916 -173.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.43 165.36 17.18 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.021 -2.354 . . . . 0.0 106.15 170.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -78.86 109.72 13.39 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 118.073 -1.451 . . . . 0.0 108.864 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -99.9 116.97 33.2 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 110.669 -2.969 . . . . 0.0 106.504 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.92 135.09 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.363 0 CA-C-N 112.714 -2.039 . . . . 0.0 105.655 166.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.546 HG13 HG21 ' A' ' 37' ' ' ILE 0.298 1.3 t -130.13 116.86 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 CA-C-N 109.163 -3.653 . . . . 0.0 103.62 -164.292 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.05 129.25 39.78 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.462 -173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.67 145.94 16.19 Favored Glycine 0 C--N 1.342 0.897 0 CA-C-N 110.945 -2.843 . . . . 0.0 108.878 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.0 t -97.39 120.56 46.88 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 172.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -96.82 117.74 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.071 -170.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.76 49.05 0.03 OUTLIER Glycine 0 C--N 1.347 1.163 0 CA-C-N 111.156 -2.747 . . . . 0.0 111.581 178.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.7 t 58.9 167.72 0.06 Allowed 'General case' 0 C--N 1.348 0.537 0 CA-C-N 111.581 -2.309 . . . . 0.0 112.694 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 111.88 1.17 Allowed 'General case' 0 C--N 1.351 0.645 0 CA-C-N 112.134 -2.303 . . . . 0.0 111.09 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.5 p -164.85 -152.23 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.453 -2.158 . . . . 0.0 107.769 -175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -83.65 163.19 20.45 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 114.317 -1.31 . . . . 0.0 109.507 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.6 67.9 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 112.651 -2.068 . . . . 0.0 112.223 -174.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 67.9 t 47.22 101.35 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-N 112.064 -2.334 . . . . 0.0 112.04 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.69 -58.35 2.96 Favored Glycine 0 C--N 1.351 1.408 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -172.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -65.08 154.57 37.48 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 112.359 -1.92 . . . . 0.0 108.923 166.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.6 mttm 103.42 -53.04 0.0 OUTLIER 'General case' 0 C--N 1.352 0.702 0 O-C-N 126.404 2.315 . . . . 0.0 107.15 -157.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 mt -85.67 -21.19 7.79 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 CA-C-N 112.817 -1.992 . . . . 0.0 110.942 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.13 -52.42 12.6 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 117.648 -1.621 . . . . 0.0 109.68 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -66.0 -47.06 75.74 Favored 'General case' 0 C--O 1.221 -0.425 0 CA-C-N 112.901 -1.954 . . . . 0.0 112.481 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -59.95 -35.02 74.05 Favored 'General case' 0 C--N 1.353 0.73 0 O-C-N 124.712 1.258 . . . . 0.0 112.317 -172.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -69.32 -34.6 74.9 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 125.248 1.592 . . . . 0.0 111.77 -177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -79.02 -35.76 42.21 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.307 -1.77 . . . . 0.0 110.139 -174.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -38.99 79.03 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 114.139 -1.391 . . . . 0.0 109.221 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -62.21 -20.54 64.29 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 112.034 -2.348 . . . . 0.0 112.958 170.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.95 7.0 33.04 Favored 'General case' 0 C--N 1.361 1.095 0 CA-C-O 121.39 0.614 . . . . 0.0 110.058 -172.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.52 18.72 78.85 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 113.633 -1.621 . . . . 0.0 111.712 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -87.65 157.17 19.17 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 116.975 -1.89 . . . . 0.0 108.933 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -77.92 104.73 8.66 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 162.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 40.3 t -124.56 129.24 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 CA-C-N 112.77 -2.014 . . . . 0.0 107.932 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 53' ' ' THR . 0.0 OUTLIER -133.08 113.39 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 CA-C-N 110.667 -2.969 . . . . 0.0 106.989 -168.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -85.75 102.93 14.07 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 112.293 -2.231 . . . . 0.0 106.863 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 HG21 HG13 ' A' ' 7' ' ' VAL . 1.2 pp -71.1 -28.47 33.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 111.007 -2.815 . . . . 0.0 110.523 -169.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.17 159.85 10.05 Favored Glycine 0 C--N 1.355 1.597 0 CA-C-N 113.201 -1.818 . . . . 0.0 110.303 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -85.96 117.77 31.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 112.313 -1.943 . . . . 0.0 107.381 171.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 174.67 148.88 0.08 Allowed 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.716 -2.038 . . . . 0.0 107.389 178.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 t -91.21 106.94 18.87 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.256 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.6 t 178.17 117.54 0.04 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.596 -1.638 . . . . 0.0 110.82 166.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -48.01 -55.06 10.97 Favored 'General case' 0 C--O 1.215 -0.711 0 CA-C-N 113.239 -1.8 . . . . 0.0 113.344 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -62.53 -17.81 60.63 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 124.253 0.97 . . . . 0.0 112.414 -171.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -80.13 -37.54 33.34 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 123.896 0.747 . . . . 0.0 111.564 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -40.97 50.08 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-O 123.191 1.472 . . . . 0.0 111.616 -177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.71 -38.65 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 109.753 -3.385 . . . . 0.0 112.085 160.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -68.16 -28.76 67.57 Favored 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.146 0.904 . . . . 0.0 111.064 -177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.18 61.28 Favored 'General case' 0 C--N 1.349 0.56 0 O-C-N 124.605 1.19 . . . . 0.0 113.262 168.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.74 -30.53 69.18 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 117.339 -1.744 . . . . 0.0 114.643 162.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.58 -40.36 71.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 C-N-CA 120.066 -0.654 . . . . 0.0 109.705 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.05 -50.43 13.12 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 113.909 -1.496 . . . . 0.0 109.134 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.433 HG21 HG11 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -104.33 -11.36 17.2 Favored 'General case' 0 N--CA 1.425 -1.675 0 CA-C-N 110.523 -3.035 . . . . 0.0 112.709 -162.296 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 79.45 61.74 0.02 OUTLIER 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.033 1.458 . . . . 0.0 110.842 164.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.16 140.04 57.18 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.255 -2.248 . . . . 0.0 112.068 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -90.63 -31.15 16.76 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 113.937 -1.483 . . . . 0.0 109.472 150.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD22 HD11 ' A' ' 134' ' ' LEU 0.255 2.6 pt? -140.46 144.88 36.32 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 123.111 1.434 . . . . 0.0 112.301 -177.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 HG23 HG12 ' A' ' 7' ' ' VAL . 23.1 mt -125.31 130.02 72.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.903 0 CA-C-N 110.528 -3.033 . . . . 0.0 108.088 176.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 70.3 m -115.03 141.08 48.49 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 111.75 -2.477 . . . . 0.0 108.709 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.15 121.75 47.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 111.836 -2.438 . . . . 0.0 106.698 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.03 112.4 24.54 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 175.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.504 ' C ' HD22 ' A' ' 63' ' ' LEU . 92.4 p -103.83 124.75 49.5 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 113.714 -1.584 . . . . 0.0 108.512 -172.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.504 HD22 ' C ' ' A' ' 62' ' ' SER . 3.4 mm? -128.06 34.13 4.64 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.044 -1.435 . . . . 0.0 110.106 -174.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -157.67 -177.61 6.71 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.751 -1.113 . . . . 0.0 108.603 175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.81 41.21 2.99 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 112.821 -1.99 . . . . 0.0 110.895 170.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -136.74 23.45 3.11 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 113.817 -1.191 . . . . 0.0 109.743 172.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.8 -18.88 77.77 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 113.423 -1.717 . . . . 0.0 110.984 171.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.6 -44.47 42.86 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.56 -1.32 . . . . 0.0 109.765 178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.3 mt -76.9 -44.77 32.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 CA-C-N 111.212 -2.722 . . . . 0.0 110.717 -167.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -77.72 -51.93 9.77 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.713 -2.039 . . . . 0.0 112.863 -177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 34.4 m -74.18 -44.42 53.52 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.534 1.147 . . . . 0.0 112.257 -166.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -75.29 135.39 40.92 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 118.891 -1.123 . . . . 0.0 110.831 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.24 17.75 64.08 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 112.166 -2.288 . . . . 0.0 111.599 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -75.52 -25.78 57.51 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 124.954 1.032 . . . . 0.0 111.002 157.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CD ' HD12 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -62.42 -46.87 86.61 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.177 -1.009 . . . . 0.0 108.873 171.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.442 28.5 mm-40 -77.38 -26.27 51.71 Favored 'General case' 0 CA--C 1.495 -1.155 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 2.2 mmmp? -76.24 -29.56 57.56 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 125.427 1.704 . . . . 0.0 113.228 166.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 21.3 t -77.36 -32.12 54.82 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 123.38 1.562 . . . . 0.0 111.55 173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.08 -44.26 80.52 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-N 110.481 -3.054 . . . . 0.0 109.52 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.1 -29.66 63.08 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 109.304 -3.589 . . . . 0.0 112.233 -177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.78 -0.08 14.67 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 112.952 -1.931 . . . . 0.0 112.641 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 38.98 34.33 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.153 -1.179 . . . . 0.0 110.153 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 46.7 mt -142.14 35.54 1.53 Allowed 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 111.787 -2.207 . . . . 0.0 109.711 -170.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.9 122.07 24.32 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.758 -1.565 . . . . 0.0 110.142 178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.16 -33.35 1.24 Allowed Glycine 0 C--N 1.349 1.262 0 N-CA-C 107.151 -2.379 . . . . 0.0 107.151 -173.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.474 HG22 HD21 ' A' ' 88' ' ' LEU . 1.3 mp -65.05 124.9 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 111.367 -2.417 . . . . 0.0 111.562 171.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -95.78 142.82 27.61 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 109.317 -3.583 . . . . 0.0 108.822 171.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.488 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.1 mt -116.71 140.28 49.6 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-O 124.008 1.861 . . . . 0.0 112.188 -165.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -107.72 135.62 48.84 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 109.569 -3.469 . . . . 0.0 106.804 173.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.04 123.56 34.67 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-N 113.629 -1.623 . . . . 0.0 106.636 175.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.02 149.6 16.92 Favored Glycine 0 C--N 1.351 1.385 0 CA-C-N 113.792 -1.549 . . . . 0.0 113.562 -166.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.42 -131.49 10.74 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-N 111.626 -2.287 . . . . 0.0 110.759 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -92.78 76.97 4.87 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.048 -1.076 . . . . 0.0 109.059 -176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -81.23 -11.28 12.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.665 0 CA-C-N 113.023 -1.899 . . . . 0.0 112.215 -172.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.436 HG23 HG13 ' A' ' 104' ' ' VAL . 25.5 t -128.26 161.41 36.78 Favored 'Isoleucine or valine' 0 C--N 1.356 0.868 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 168.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 5.2 p -68.5 88.94 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.668 -2.514 . . . . 0.0 110.695 -175.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.22 -97.09 0.35 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.042 -1.89 . . . . 0.0 109.717 -172.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.4 tptt 73.75 164.58 0.28 Allowed 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.327 -1.937 . . . . 0.0 110.934 166.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -56.36 149.73 16.13 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 112.901 -1.954 . . . . 0.0 109.538 171.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -80.71 81.13 7.04 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 125.257 1.598 . . . . 0.0 110.136 -176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.326 1.2 m-90 77.84 13.18 0.0 OUTLIER Pre-proline 0 CA--C 1.56 1.361 0 N-CA-C 119.794 3.257 . . . . 0.0 119.794 163.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -82.19 -52.67 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.097 0 CA-C-N 122.423 1.901 . . . . 0.0 112.955 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.42 -29.93 37.66 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 113.272 -1.785 . . . . 0.0 111.324 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.436 HG13 HG23 ' A' ' 95' ' ' VAL . 61.5 t -74.22 -36.44 43.42 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.117 -1.856 . . . . 0.0 110.79 -167.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.09 -46.2 44.43 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 114.326 -1.306 . . . . 0.0 110.345 172.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -49.85 -43.96 49.36 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 124.442 1.089 . . . . 0.0 112.431 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.63 -53.18 9.0 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 112.776 -2.011 . . . . 0.0 111.521 -172.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -75.14 -45.47 40.68 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.863 -170.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -60.23 -44.94 94.79 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.898 -1.955 . . . . 0.0 111.729 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.88 -31.55 72.56 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.77 1.294 . . . . 0.0 112.172 -178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 33.8 mmt -75.96 -25.19 55.65 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 114.08 -1.418 . . . . 0.0 111.797 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.29 -6.38 0.23 Allowed Glycine 0 C--N 1.359 1.841 0 C-N-CA 117.936 -2.078 . . . . 0.0 115.507 170.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -74.38 138.38 43.36 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 118.511 -1.276 . . . . 0.0 110.049 -172.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.59 -62.68 1.7 Allowed 'General case' 0 C--N 1.356 0.853 0 CA-C-N 112.459 -2.155 . . . . 0.0 109.438 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -145.17 156.06 43.65 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 125.428 1.705 . . . . 0.0 109.746 165.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.5 t -111.8 113.94 45.63 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 CA-C-N 111.41 -2.632 . . . . 0.0 107.257 174.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.453 ' HB3' HG21 ' A' ' 121' ' ' THR . 32.5 m-85 -76.98 142.43 69.1 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.164 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -54.91 -179.08 0.06 OUTLIER 'Trans proline' 0 C--N 1.375 1.952 0 C-N-CA 123.282 2.655 . . . . 0.0 113.797 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -83.58 114.92 2.12 Favored 'Trans proline' 0 C--N 1.361 1.191 0 N-CA-C 109.377 -1.047 . . . . 0.0 109.377 172.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.88 71.67 1.11 Allowed Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 111.193 -177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.453 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.05 137.67 40.02 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 112.154 -2.023 . . . . 0.0 110.692 -174.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.45 151.61 0.57 Allowed Pre-proline 0 CA--C 1.552 1.022 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.25 157.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -83.12 -10.02 10.36 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 121.31 1.34 . . . . 0.0 113.262 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.98 -29.77 66.94 Favored 'General case' 0 C--N 1.356 0.87 0 O-C-N 124.342 1.026 . . . . 0.0 111.135 -174.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -32.97 68.6 Favored 'General case' 0 CA--C 1.508 -0.654 0 O-C-N 125.277 1.61 . . . . 0.0 112.399 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.483 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.5 m -79.64 -36.39 37.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 O-C-N 126.324 2.265 . . . . 0.0 108.92 -173.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.4 mt -75.13 -37.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 CA-C-N 111.925 -2.398 . . . . 0.0 110.087 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.0 -30.9 64.13 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.858 -1.519 . . . . 0.0 110.302 175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -63.19 -55.46 24.89 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 116.132 -2.227 . . . . 0.0 112.387 172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 7.7 ptp -71.12 -28.94 64.66 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.693 0.621 . . . . 0.0 112.111 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -70.68 -57.33 4.8 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 117.419 -1.712 . . . . 0.0 109.484 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -69.96 -35.2 74.28 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.726 -170.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -78.73 -33.95 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 114.264 -1.335 . . . . 0.0 112.33 -174.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.413 HD11 HD22 ' A' ' 57' ' ' LEU . 45.6 mt -88.85 -3.66 58.69 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 124.237 0.961 . . . . 0.0 111.661 -175.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 91.34 63.78 1.18 Allowed Glycine 0 C--N 1.355 1.602 0 O-C-N 124.213 0.946 . . . . 0.0 110.912 176.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.01 157.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.178 -2.011 . . . . 0.0 107.318 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 CA--C 1.541 0.612 0 CA-C-N 113.85 -1.523 . . . . 0.0 109.13 174.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tmm? . . . . . 0 CA--C 1.535 0.382 0 CA-C-O 121.596 0.713 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.3 126.93 31.43 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.282 -1.781 . . . . 0.0 109.624 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.93 165.29 20.51 Favored 'General case' 0 C--N 1.347 0.485 0 CA-C-N 112.57 -2.104 . . . . 0.0 107.509 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -113.01 119.02 36.46 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 112.817 -1.992 . . . . 0.0 107.128 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.8 m -90.57 126.57 35.98 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 111.307 -2.679 . . . . 0.0 106.75 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.445 HG22 HD21 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -120.96 148.94 23.92 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.691 0 C-N-CA 127.312 2.245 . . . . 0.0 105.449 171.786 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.14 138.02 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.022 1 CA-C-N 107.893 -4.23 . . . . 0.0 103.971 -170.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 pp -132.49 129.84 39.68 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 117.423 -1.711 . . . . 0.0 108.187 167.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.21 145.02 15.98 Favored Glycine 0 C--N 1.343 0.94 0 CA-C-N 113.542 -1.663 . . . . 0.0 109.394 166.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.3 t -97.67 124.61 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 111.632 -2.284 . . . . 0.0 105.205 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -96.52 122.57 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 112.92 -1.946 . . . . 0.0 107.639 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.39 -75.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.065 0 CA-C-N 110.347 -3.115 . . . . 0.0 110.859 175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.6 p -175.81 118.94 0.16 Allowed 'General case' 0 C--N 1.345 0.407 0 CA-C-N 111.443 -2.378 . . . . 0.0 107.841 -162.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -61.25 85.47 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.986 0 O-C-N 125.395 1.685 . . . . 0.0 112.244 -175.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 52.3 m -172.96 -65.07 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.343 -2.208 . . . . 0.0 108.523 -170.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -100.02 129.93 46.13 Favored 'General case' 0 C--N 1.357 0.921 0 CA-C-N 113.733 -1.576 . . . . 0.0 110.882 -169.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.31 95.26 2.69 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 112.671 -2.059 . . . . 0.0 106.235 170.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.52 146.04 15.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.599 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.574 -168.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.23 -59.23 2.7 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 112.713 -2.04 . . . . 0.0 110.017 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -72.53 -28.4 62.83 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 111.541 -2.329 . . . . 0.0 111.005 172.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -80.79 86.09 6.03 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-O 123.296 1.522 . . . . 0.0 110.206 -177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.255 0.0 OUTLIER 177.95 -45.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-N 109.887 -3.324 . . . . 0.0 106.646 -174.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 121' ' ' THR . 19.2 mt -66.68 -33.29 75.31 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 111.267 -2.697 . . . . 0.0 109.911 168.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -55.41 -52.7 62.71 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.945 -1.934 . . . . 0.0 111.042 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -65.21 -35.18 80.25 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 112.116 -2.311 . . . . 0.0 111.271 -177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 m -74.87 -29.63 61.08 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.569 -1.65 . . . . 0.0 112.6 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -66.08 -41.71 90.34 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.265 0.978 . . . . 0.0 109.086 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.12 79.48 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 112.88 -1.964 . . . . 0.0 111.219 177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -67.33 -20.71 65.63 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.07 -1.877 . . . . 0.0 112.933 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.46 7.68 18.97 Favored 'General case' 0 C--N 1.357 0.905 0 O-C-N 123.991 0.807 . . . . 0.0 110.997 -170.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.47 22.49 77.78 Favored Glycine 0 C--N 1.354 1.558 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.674 -170.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CZ ' ' SD ' ' A' ' 130' ' ' MET . 0.2 OUTLIER -86.16 151.89 23.29 Favored 'General case' 0 C--N 1.363 1.165 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -177.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -78.26 104.4 8.82 Favored 'General case' 0 C--N 1.36 1.038 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 175.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 HG13 HG12 ' A' ' 6' ' ' ILE . 13.6 t -127.57 117.72 47.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.502 -1.681 . . . . 0.0 110.699 -174.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -90.9 110.96 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 111.302 -2.681 . . . . 0.0 106.752 158.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -85.88 97.67 10.35 Favored 'General case' 0 C--N 1.35 0.591 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 168.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -29.65 19.99 Favored 'Isoleucine or valine' 0 C--N 1.353 0.745 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.142 -173.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.46 -164.97 54.36 Favored Glycine 0 C--N 1.355 1.633 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.509 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.95 117.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 CA-C-N 113.144 -1.528 . . . . 0.0 109.0 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.07 83.74 0.02 OUTLIER 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.898 -1.956 . . . . 0.0 107.991 -175.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 87.68 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.69 -1.596 . . . . 0.0 110.456 173.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.1 t -117.35 -147.67 0.41 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-N 113.072 -1.877 . . . . 0.0 107.678 176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.67 ' CB ' HD13 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -47.95 -50.89 25.71 Favored 'General case' 0 C--O 1.213 -0.861 0 O-C-N 124.315 1.01 . . . . 0.0 112.99 -176.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -52.28 -35.87 51.31 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.75 1.281 . . . . 0.0 113.348 -167.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -83.96 -31.55 25.5 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.918 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -38.11 56.28 Favored 'General case' 0 C--N 1.358 0.977 0 CA-C-O 123.079 1.419 . . . . 0.0 113.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.5 mt -49.64 -38.6 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.725 0 CA-C-N 110.304 -3.135 . . . . 0.0 111.319 159.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -68.86 -28.83 67.06 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.479 1.112 . . . . 0.0 111.425 -176.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.15 -30.54 63.66 Favored 'General case' 0 C--O 1.212 -0.884 0 O-C-N 124.277 0.986 . . . . 0.0 110.362 167.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.23 68.94 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 115.865 -2.334 . . . . 0.0 113.911 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.19 -39.77 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.758 174.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -77.06 -50.32 13.35 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.11 -1.404 . . . . 0.0 112.973 -169.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.501 ' HB ' HG21 ' A' ' 5' ' ' THR . 21.3 p -97.43 -29.21 13.63 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 125.338 1.649 . . . . 0.0 113.342 -172.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 91.86 58.84 0.0 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 126.24 2.213 . . . . 0.0 109.326 174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.39 122.97 22.93 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 109.97 -3.286 . . . . 0.0 110.68 -175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -75.48 -22.95 56.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 125.768 1.918 . . . . 0.0 110.5 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 57' ' ' LEU . 2.4 pt? -140.49 144.61 36.1 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 123.015 1.388 . . . . 0.0 111.783 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.539 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 62.8 mt -121.29 124.59 72.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-N 110.329 -3.123 . . . . 0.0 106.44 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.11 114.66 25.62 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.107 -173.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.8 121.66 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 112.9 -1.954 . . . . 0.0 108.989 178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.51 143.16 31.01 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.797 -2.456 . . . . 0.0 107.354 173.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -131.51 121.05 23.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 125.11 1.506 . . . . 0.0 109.124 -174.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 65.1 mt -73.88 -66.56 0.69 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-N 111.945 -2.389 . . . . 0.0 110.634 -169.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.02 -39.13 51.31 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 124.681 1.238 . . . . 0.0 107.705 168.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 134.11 48.44 0.09 OUTLIER Glycine 0 C--N 1.353 1.491 0 CA-C-N 111.182 -2.736 . . . . 0.0 110.182 -170.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -83.67 26.98 0.65 Allowed 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 114.362 -0.919 . . . . 0.0 112.333 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.09 -27.4 52.93 Favored Glycine 0 C--N 1.346 1.113 0 CA-C-N 113.801 -1.545 . . . . 0.0 110.949 175.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -61.91 -27.79 69.06 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 114.075 -1.062 . . . . 0.0 110.927 176.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -89.11 -44.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.932 -1.94 . . . . 0.0 111.546 -175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -77.91 -56.14 4.74 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 122.917 1.341 . . . . 0.0 112.698 -176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.421 ' SG ' HG21 ' A' ' 90' ' ' VAL . 32.3 m -63.79 -25.95 68.41 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 110.658 -2.974 . . . . 0.0 112.255 -162.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -71.06 111.59 6.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 117.524 -1.671 . . . . 0.0 107.9 166.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 18.5 80.15 Favored Glycine 0 CA--C 1.536 1.347 0 CA-C-N 112.521 -2.127 . . . . 0.0 114.829 178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.67 HD13 ' CB ' ' A' ' 43' ' ' GLN . 21.8 tp -75.7 -25.84 57.02 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 117.562 0.681 . . . . 0.0 111.881 153.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -62.74 -45.12 94.21 Favored 'General case' 0 C--O 1.219 -0.547 0 C-N-CA 118.62 -1.232 . . . . 0.0 110.924 165.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.43 2.1 pt-20 -77.28 -25.98 51.93 Favored 'General case' 0 CA--C 1.492 -1.282 0 N-CA-C 117.576 2.435 . . . . 0.0 117.576 178.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 64.9 mmtt -76.5 -29.73 56.92 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 125.684 1.865 . . . . 0.0 113.403 166.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 12.2 p -77.25 -32.64 55.84 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 123.337 1.541 . . . . 0.0 111.579 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -78.05 -33.14 51.14 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 110.522 -3.035 . . . . 0.0 111.234 174.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.342 22.0 mm-40 -73.38 -29.63 62.75 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 112.114 -2.312 . . . . 0.0 112.855 174.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.71 3.13 6.85 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 113.423 -1.717 . . . . 0.0 112.612 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.01 34.44 47.33 Favored Glycine 0 C--N 1.352 1.448 0 N-CA-C 110.226 -1.149 . . . . 0.0 110.226 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.422 ' HB3' HD13 ' A' ' 86' ' ' ILE . 62.3 mt -137.88 61.26 1.6 Allowed 'General case' 0 C--N 1.348 0.505 0 CA-C-N 111.813 -2.193 . . . . 0.0 108.173 -172.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.14 123.01 33.62 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 112.757 -2.02 . . . . 0.0 108.754 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -25.0 2.52 Favored Glycine 0 C--N 1.346 1.102 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' A' ' 83' ' ' LEU . 0.8 OUTLIER -64.95 124.72 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 111.78 -2.21 . . . . 0.0 111.123 173.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -93.7 150.06 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 108.551 -3.931 . . . . 0.0 107.842 166.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.539 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 73.4 mt -130.86 127.68 39.07 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 113.253 -1.794 . . . . 0.0 109.768 -168.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -107.82 143.12 36.83 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 111.817 -2.447 . . . . 0.0 106.911 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG21 ' SG ' ' A' ' 71' ' ' CYS . 14.1 p -136.29 123.66 33.5 Favored 'Isoleucine or valine' 0 C--N 1.355 0.804 0 O-C-N 124.053 0.846 . . . . 0.0 110.223 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.11 137.93 13.83 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.631 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 94' ' ' ILE . . . 138.81 -153.31 22.6 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 113.07 -1.565 . . . . 0.0 110.562 171.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -81.5 -33.63 31.76 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.143 -1.529 . . . . 0.0 110.317 170.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.414 HG23 ' C ' ' A' ' 92' ' ' GLY 0.266 5.2 pt 53.35 16.23 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 130.766 3.626 . . . . 0.0 113.344 170.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.4 t -152.85 166.16 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.648 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.476 -172.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 6.9 p -96.6 31.68 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 112.461 -2.154 . . . . 0.0 111.871 -171.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.37 -59.88 4.07 Favored Glycine 0 C--N 1.35 1.357 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.689 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -61.8 113.78 2.96 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.711 -1.745 . . . . 0.0 110.337 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 92.71 126.57 0.02 OUTLIER 'General case' 0 C--N 1.354 0.801 0 O-C-N 126.164 2.165 . . . . 0.0 108.277 -171.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -139.81 138.28 35.68 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 114.326 -1.306 . . . . 0.0 109.757 -176.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.635 1.3 m-90 27.63 -79.92 0.0 OUTLIER Pre-proline 0 C--N 1.356 0.869 0 N-CA-C 120.077 3.362 . . . . 0.0 120.077 176.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.07 -35.15 71.23 Favored 'Trans proline' 0 CA--C 1.55 1.311 0 CA-C-N 120.975 1.384 . . . . 0.0 114.919 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -80.31 -39.32 28.97 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.278 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.8 t -71.59 -40.4 71.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.266 -174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.07 -29.83 62.08 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 113.865 -1.516 . . . . 0.0 110.838 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -64.52 -36.78 85.32 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-N 114.46 -1.245 . . . . 0.0 111.358 170.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -75.4 -53.05 9.34 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 124.188 0.93 . . . . 0.0 111.032 -173.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.46 -53.32 36.75 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 113.153 -1.84 . . . . 0.0 110.725 -172.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -67.94 -28.77 67.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.267 -2.242 . . . . 0.0 112.633 -177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.22 91.27 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 124.07 0.856 . . . . 0.0 112.479 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -71.67 -18.42 62.18 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 118.629 -1.228 . . . . 0.0 111.437 175.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 137.02 -10.81 3.9 Favored Glycine 0 C--N 1.355 1.606 0 O-C-N 124.905 1.378 . . . . 0.0 113.865 159.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -50.05 136.8 18.36 Favored 'General case' 0 C--N 1.36 1.045 0 CA-C-O 121.614 0.721 . . . . 0.0 111.445 -177.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.44 -63.13 1.41 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.152 -168.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -145.24 156.1 43.64 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 125.215 1.572 . . . . 0.0 110.841 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 63.4 t -117.6 113.95 44.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 CA-C-N 111.427 -2.624 . . . . 0.0 108.847 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -92.28 137.96 24.51 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 112.162 -2.29 . . . . 0.0 109.271 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -55.77 177.68 0.13 Allowed 'Trans proline' 0 C--N 1.37 1.706 0 C-N-CA 122.825 2.35 . . . . 0.0 115.655 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -80.84 115.27 3.03 Favored 'Trans proline' 0 C--N 1.361 1.222 0 N-CA-C 109.114 -1.148 . . . . 0.0 109.114 167.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 74.44 60.21 3.57 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.01 -1.905 . . . . 0.0 111.104 -175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.436 ' O ' HD21 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -79.62 137.59 37.16 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.542 -1.829 . . . . 0.0 108.787 176.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.55 152.54 12.13 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 118.593 -1.243 . . . . 0.0 109.882 162.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.6 -20.27 8.14 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 120.662 0.908 . . . . 0.0 113.545 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -29.97 70.73 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.843 -1.526 . . . . 0.0 110.461 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 129' ' ' ASP . 1.4 m -65.86 -40.15 91.4 Favored 'General case' 0 C--O 1.211 -0.926 0 CA-C-N 113.725 -1.579 . . . . 0.0 112.885 -178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.1 m -79.3 -38.63 34.87 Favored 'General case' 0 C--O 1.218 -0.554 0 O-C-N 125.594 1.808 . . . . 0.0 109.719 -164.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 89.5 mt -75.12 -44.06 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 CA-C-N 110.607 -2.997 . . . . 0.0 109.794 -173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.96 63.49 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 112.928 -1.942 . . . . 0.0 111.051 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' THR 0.269 11.3 t70 -71.42 -28.78 64.23 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 115.783 -2.367 . . . . 0.0 111.778 168.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.489 ' SD ' ' CZ ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -65.17 -43.26 92.28 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 121.416 0.626 . . . . 0.0 110.991 177.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -66.39 -55.08 17.52 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.243 -1.799 . . . . 0.0 109.114 -179.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -53.4 -34.2 56.82 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.903 -1.953 . . . . 0.0 114.669 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 t -72.4 -47.02 54.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-N 114.262 -1.336 . . . . 0.0 111.483 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.487 HD12 ' SD ' ' A' ' 130' ' ' MET . 94.0 mt -90.47 17.06 7.8 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 124.291 0.994 . . . . 0.0 112.318 -172.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.73 57.72 4.82 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.761 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -147.75 159.95 7.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-N 112.395 -1.903 . . . . 0.0 106.853 -174.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 CA--C 1.545 0.762 0 O-C-N 125.34 1.65 . . . . 0.0 110.982 -179.362 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 121.398 0.618 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 61.66 83.49 0.15 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.125 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 165.4 25.77 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 112.719 -2.037 . . . . 0.0 108.749 -173.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -107.41 109.88 21.71 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 112.266 -2.243 . . . . 0.0 107.137 167.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 53' ' ' THR . 30.6 m -89.76 131.02 35.93 Favored 'General case' 0 C--N 1.356 0.867 0 CA-C-N 112.293 -2.23 . . . . 0.0 108.057 173.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.421 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -110.14 122.95 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.038 0 CA-C-N 110.216 -3.175 . . . . 0.0 103.817 163.669 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.292 0.9 OUTLIER -100.05 141.03 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.867 0 CA-C-N 109.587 -3.46 . . . . 0.0 103.275 176.183 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 tt -132.22 128.97 39.07 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 116.433 -2.107 . . . . 0.0 106.744 163.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -123.92 145.63 16.02 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 112.223 -2.262 . . . . 0.0 109.157 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.535 HG11 ' O ' ' A' ' 16' ' ' HIS . 74.3 t -97.72 120.98 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 170.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.9 tt -96.61 144.04 11.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 CA-C-N 112.688 -2.051 . . . . 0.0 108.779 -164.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.44 -146.64 18.22 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 110.19 -3.186 . . . . 0.0 105.844 -150.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -162.15 -148.07 0.14 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-N 113.887 -1.156 . . . . 0.0 108.421 -173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.9 t70 73.83 -170.53 0.12 Allowed 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.599 1.187 . . . . 0.0 109.067 -171.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.81 28.34 1.37 Allowed 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.413 -1.267 . . . . 0.0 111.404 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.535 ' O ' HG11 ' A' ' 10' ' ' VAL . 13.4 m-70 -92.43 81.65 4.88 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 114.522 -1.217 . . . . 0.0 109.443 -179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -90.51 69.82 6.84 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 112.889 -1.96 . . . . 0.0 108.902 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.9 t -86.93 -30.75 5.89 Favored 'Isoleucine or valine' 0 C--N 1.352 0.686 0 CA-C-N 112.539 -2.119 . . . . 0.0 111.949 -167.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -96.78 3.47 62.81 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-N 113.626 -1.624 . . . . 0.0 111.495 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -133.04 51.76 2.13 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 113.296 -1.452 . . . . 0.0 108.438 -167.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -143.9 -31.42 0.46 Allowed 'General case' 0 C--N 1.352 0.689 0 CA-C-N 112.578 -2.101 . . . . 0.0 111.813 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.1 mp -133.0 -52.34 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.738 0 CA-C-O 122.188 0.994 . . . . 0.0 109.228 176.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.26 -52.05 65.89 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 111.778 -2.464 . . . . 0.0 111.577 -167.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -53.59 -47.98 69.66 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 112.231 -2.259 . . . . 0.0 112.89 -178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -58.44 -45.27 88.84 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.27 1.606 . . . . 0.0 111.906 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.0 t -76.59 -26.76 55.37 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.953 -1.931 . . . . 0.0 111.945 -173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.85 -41.77 95.44 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.157 0.911 . . . . 0.0 110.588 175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.3 -37.67 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.215 178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -66.3 -20.62 66.15 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 111.891 -2.413 . . . . 0.0 112.562 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.42 12.59 22.21 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 124.105 0.878 . . . . 0.0 110.17 -165.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.85 20.94 79.75 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.357 -1.747 . . . . 0.0 111.948 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -90.75 157.78 17.22 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 117.393 -1.723 . . . . 0.0 107.916 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -77.77 111.85 14.0 Favored 'General case' 0 C--N 1.362 1.136 0 N-CA-C 103.227 -2.879 . . . . 0.0 103.227 164.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.3 t -127.0 110.13 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 125.271 1.607 . . . . 0.0 108.926 -177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.81 110.6 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 CA-C-N 110.761 -2.927 . . . . 0.0 105.103 173.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -96.67 97.87 9.71 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 113.402 -1.727 . . . . 0.0 107.033 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.03 -36.94 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.179 -2.282 . . . . 0.0 109.22 -171.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.25 -163.59 54.87 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 114.139 -1.392 . . . . 0.0 112.969 169.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -80.9 167.45 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.82 0 CA-C-N 111.748 -2.226 . . . . 0.0 109.032 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 91.38 39.7 0.01 OUTLIER 'General case' 0 C--N 1.354 0.803 0 C-N-CA 126.567 1.947 . . . . 0.0 110.164 176.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p 175.92 157.18 0.23 Allowed 'General case' 0 C--N 1.348 0.508 0 CA-C-N 112.675 -2.057 . . . . 0.0 108.395 -165.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -124.85 -172.38 2.56 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.307 -1.769 . . . . 0.0 109.967 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.694 ' HB2' HD13 ' A' ' 74' ' ' LEU . 4.9 pt20 -58.29 -30.04 66.32 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 116.145 1.905 . . . . 0.0 116.145 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -68.1 -29.03 67.86 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 124.57 1.168 . . . . 0.0 111.893 176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.37 -33.58 58.92 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.342 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 0.9 OUTLIER -76.46 -34.43 58.69 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 123.282 1.515 . . . . 0.0 112.905 -176.175 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.78 -42.0 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-N 109.739 -3.391 . . . . 0.0 111.217 160.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -71.15 -28.83 64.55 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 124.703 1.252 . . . . 0.0 111.748 -175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.812 ' O ' HG22 ' A' ' 53' ' ' THR . . . -71.51 -28.66 64.05 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-O 116.801 -1.571 . . . . 0.0 111.705 166.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.1 -30.45 62.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 118.798 -1.161 . . . . 0.0 113.327 169.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -67.07 -36.67 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 171.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -73.12 -50.77 20.89 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.554 -1.657 . . . . 0.0 111.76 -171.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.021 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -90.66 -36.77 14.18 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 110.632 -2.985 . . . . 0.0 112.383 -167.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 83.09 79.66 0.03 OUTLIER 'General case' 0 C--N 1.355 0.806 0 CA-C-N 111.536 -2.574 . . . . 0.0 109.671 -166.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.75 139.71 55.33 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.313 -2.221 . . . . 0.0 111.285 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.38 -31.69 16.76 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.667 155.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.327 2.6 pt? -140.5 145.04 36.36 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-O 123.156 1.455 . . . . 0.0 112.678 177.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.542 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 51.9 mt -124.92 127.36 72.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 CA-C-N 110.492 -3.049 . . . . 0.0 106.401 177.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.4 t -112.26 141.09 46.39 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 113.336 -1.757 . . . . 0.0 109.687 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.56 121.49 48.16 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 CA-C-N 111.626 -2.534 . . . . 0.0 105.689 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -115.18 114.83 25.78 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 124.979 1.425 . . . . 0.0 108.987 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.88 144.87 29.31 Favored 'General case' 0 C--N 1.344 0.333 0 CA-C-N 113.965 -1.47 . . . . 0.0 109.696 -170.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.418 HD21 ' CG1' ' A' ' 10' ' ' VAL . 94.9 mt -81.97 -72.15 0.45 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.7 -2.5 . . . . 0.0 110.914 -163.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -41.04 61.73 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 124.426 1.079 . . . . 0.0 109.328 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 149.06 27.61 0.06 OUTLIER Glycine 0 C--N 1.352 1.464 0 CA-C-N 112.199 -2.273 . . . . 0.0 111.31 -160.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -88.68 28.72 1.09 Allowed 'General case' 0 C--N 1.355 0.83 0 CA-C-N 114.319 -0.941 . . . . 0.0 111.308 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.35 -35.45 26.43 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-N 113.732 -1.576 . . . . 0.0 109.31 166.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.41 -49.78 74.13 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.979 -2.11 . . . . 0.0 109.367 177.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 86.0 mt -91.22 -45.43 14.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 CA-C-N 111.902 -2.408 . . . . 0.0 112.022 -169.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -78.36 -56.73 4.22 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.47 -27.64 46.35 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 113.334 -1.757 . . . . 0.0 114.034 -154.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -71.55 123.31 22.17 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.606 1.191 . . . . 0.0 110.74 -167.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.08 27.79 24.94 Favored Glycine 0 C--N 1.355 1.611 0 CA-C-N 113.376 -1.738 . . . . 0.0 111.971 -169.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 43' ' ' GLN . 20.3 tp -75.33 -25.41 57.78 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 125.64 1.435 . . . . 0.0 110.411 154.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -58.84 -46.97 86.45 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 117.604 -1.638 . . . . 0.0 109.567 171.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.365 18.4 mp0 -77.41 -26.25 51.52 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.279 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -76.15 -29.34 57.73 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 125.747 1.904 . . . . 0.0 113.265 168.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 41.5 t -77.24 -35.03 55.74 Favored 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 123.364 1.554 . . . . 0.0 110.655 173.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -63.81 -42.81 97.6 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 110.235 -3.166 . . . . 0.0 109.613 171.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.315 0.1 OUTLIER -73.12 -29.93 63.26 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 110.188 -3.187 . . . . 0.0 111.841 -177.433 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 1.49 10.42 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 112.165 -2.288 . . . . 0.0 112.562 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.93 37.83 37.54 Favored Glycine 0 C--N 1.353 1.511 0 N-CA-C 110.275 -1.13 . . . . 0.0 110.275 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.404 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.0 mt -143.84 48.4 1.41 Allowed 'General case' 0 C--N 1.347 0.464 0 CA-C-N 111.642 -2.279 . . . . 0.0 108.646 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -87.19 114.83 24.15 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.446 -1.706 . . . . 0.0 109.457 173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 152.57 -28.11 0.85 Allowed Glycine 0 C--N 1.344 1.027 0 CA-C-N 111.94 -2.391 . . . . 0.0 108.291 -170.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.435 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.83 124.89 20.59 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.88 0 CA-C-N 111.583 -2.308 . . . . 0.0 109.837 167.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -87.87 144.4 26.6 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 110.853 -2.885 . . . . 0.0 108.604 159.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.542 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 29.8 mt -118.26 135.17 54.43 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.323 -173.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -107.86 151.2 26.08 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 111.302 -2.681 . . . . 0.0 107.518 169.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.7 p -136.25 123.89 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-N 113.067 -1.878 . . . . 0.0 108.316 176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.18 152.11 18.21 Favored Glycine 0 C--N 1.353 1.49 0 CA-C-N 114.164 -1.38 . . . . 0.0 113.187 -166.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.49 -141.16 20.28 Favored Glycine 0 C--N 1.352 1.435 0 CA-C-N 112.339 -1.931 . . . . 0.0 111.529 170.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -81.83 88.29 6.33 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 112.631 -1.784 . . . . 0.0 107.902 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.54 -27.56 10.14 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 O-C-N 124.769 1.293 . . . . 0.0 110.641 -176.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.454 HG22 ' H ' ' A' ' 96' ' ' VAL . 6.1 p -129.11 -157.24 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 159.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' H ' HG22 ' A' ' 95' ' ' VAL . 63.4 t -63.89 131.68 29.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 112.27 -2.241 . . . . 0.0 108.689 175.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.37 35.38 2.62 Favored Glycine 0 CA--C 1.54 1.615 0 CA-C-N 113.396 -1.729 . . . . 0.0 113.253 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -152.33 74.1 1.06 Allowed 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -145.31 -45.39 0.22 Allowed 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.495 -2.139 . . . . 0.0 110.044 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 55.76 77.08 0.25 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 112.774 -2.012 . . . . 0.0 110.319 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.49 ' HB3' HG23 ' A' ' 104' ' ' VAL . 10.0 p90 -79.45 131.56 64.83 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 111.801 -2.454 . . . . 0.0 114.954 -160.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.35 -21.56 5.3 Favored 'Trans proline' 0 CA--C 1.557 1.645 0 C-N-CA 121.487 1.458 . . . . 0.0 112.769 125.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.14 -52.37 7.85 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.646 -1.615 . . . . 0.0 113.023 -163.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' ' 101' ' ' TRP . 48.0 t -69.41 -37.72 75.81 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 113.131 -1.849 . . . . 0.0 110.764 -169.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -62.35 -47.73 82.94 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.844 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -57.09 -35.01 68.89 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 124.527 1.142 . . . . 0.0 112.111 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -76.45 -52.16 10.38 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 114.217 -1.356 . . . . 0.0 111.166 -173.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -66.66 -44.01 83.03 Favored 'General case' 0 C--N 1.349 0.574 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.513 -173.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -73.94 -28.98 61.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.442 -2.617 . . . . 0.0 111.937 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.62 -33.05 74.79 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.492 1.12 . . . . 0.0 111.352 174.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mmt -74.7 -32.93 62.32 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 114.383 -1.281 . . . . 0.0 110.9 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.61 -50.64 0.11 Allowed Glycine 0 C--N 1.355 1.616 0 C-N-CA 117.374 -2.346 . . . . 0.0 113.384 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -48.84 146.35 3.29 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.394 -1.403 . . . . 0.0 113.774 -165.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -75.89 -62.94 1.42 Allowed 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 111.619 -2.537 . . . . 0.0 109.805 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -145.26 156.18 43.68 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.145 -1.389 . . . . 0.0 110.337 -172.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.3 t -123.03 125.82 72.74 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.845 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -96.04 116.96 66.53 Favored Pre-proline 0 C--N 1.357 0.913 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.599 166.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -55.76 172.51 0.52 Allowed 'Trans proline' 0 C--N 1.368 1.597 0 C-N-CA 121.137 1.225 . . . . 0.0 114.513 167.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.86 118.49 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 120.861 1.041 . . . . 0.0 110.691 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.25 7.16 Favored Glycine 0 C--N 1.351 1.391 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.389 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.9 m -86.98 137.19 32.56 Favored 'General case' 0 C--N 1.353 0.751 0 CA-C-O 122.353 1.073 . . . . 0.0 109.288 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -58.17 167.2 1.7 Allowed Pre-proline 0 CA--C 1.547 0.848 0 CA-C-N 111.621 -2.536 . . . . 0.0 110.221 169.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -83.17 -15.81 7.62 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 120.994 1.129 . . . . 0.0 114.195 170.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -72.71 -29.67 63.56 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.035 -171.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -66.76 -33.36 75.46 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-N 113.169 -1.832 . . . . 0.0 112.27 173.653 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.34 -33.11 43.31 Favored 'General case' 0 N--CA 1.443 -0.802 0 O-C-N 126.507 2.379 . . . . 0.0 108.542 -173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.0 mt -75.17 -39.35 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 CA-C-N 111.807 -2.451 . . . . 0.0 110.518 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.2 -31.04 63.94 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 113.574 -1.648 . . . . 0.0 110.458 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 40.3 t0 -63.26 -55.39 25.27 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 116.568 -2.053 . . . . 0.0 112.47 172.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptp -67.49 -34.83 77.95 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.015 0.822 . . . . 0.0 111.786 -173.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -66.97 -55.79 12.97 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.768 -1.56 . . . . 0.0 110.024 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.56 -37.1 84.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 117.895 -1.522 . . . . 0.0 114.264 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.4 p -78.65 -36.05 19.28 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 O-C-N 124.574 1.171 . . . . 0.0 112.453 -171.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.0 mt -85.4 -15.88 41.65 Favored 'General case' 0 C--N 1.355 0.833 0 O-C-N 124.424 1.077 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.0 83.59 0.88 Allowed Glycine 0 C--N 1.353 1.521 0 CA-C-N 114.352 -1.295 . . . . 0.0 110.238 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.7 t -136.31 3.56 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 112.256 -1.972 . . . . 0.0 112.633 -174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 CA--C 1.541 0.598 0 CA-C-N 112.171 -2.286 . . . . 0.0 109.409 -177.223 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.5 mtp . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 121.707 0.765 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -142.02 140.75 32.73 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.917 -1.947 . . . . 0.0 108.485 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 165.27 11.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 112.849 -1.978 . . . . 0.0 107.738 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -116.88 109.92 17.68 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 113.322 -1.763 . . . . 0.0 108.431 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.2 m -89.97 134.25 34.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 111.145 -2.752 . . . . 0.0 107.755 177.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.435 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.49 139.5 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.005 0 C-N-CA 127.464 2.306 . . . . 0.0 105.05 173.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.68 HG13 HG21 ' A' ' 37' ' ' ILE 0.262 1.0 OUTLIER -117.45 134.97 59.33 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.654 0 CA-C-N 108.949 -3.75 . . . . 0.0 104.945 -177.169 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 pp -132.6 128.56 37.42 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 116.604 -2.038 . . . . 0.0 107.243 166.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.448 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.52 146.13 16.09 Favored Glycine 0 C--N 1.341 0.848 0 CA-C-N 112.743 -2.026 . . . . 0.0 110.926 172.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.6 t -97.11 120.37 46.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.398 0 C-N-CA 116.069 -2.253 . . . . 0.0 106.192 168.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -104.64 136.42 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-N 110.225 -3.17 . . . . 0.0 108.712 -167.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 90.2 -75.08 1.76 Allowed Glycine 0 C--N 1.351 1.399 0 CA-C-N 111.664 -2.516 . . . . 0.0 109.512 -169.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 p -169.7 168.83 8.86 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-N 113.117 -1.542 . . . . 0.0 109.66 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -71.25 112.87 7.73 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 111.945 -2.388 . . . . 0.0 109.513 163.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 68.7 m -132.88 62.08 1.66 Allowed 'General case' 0 C--N 1.345 0.402 0 CA-C-N 112.449 -2.159 . . . . 0.0 106.179 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 71.1 137.34 0.04 OUTLIER 'General case' 0 C--N 1.355 0.833 0 CA-C-N 111.063 -2.79 . . . . 0.0 109.824 -166.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.09 83.35 5.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 113.49 -1.687 . . . . 0.0 109.091 173.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.3 t -69.88 -66.69 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-N 113.311 -1.768 . . . . 0.0 109.672 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.15 -97.73 0.22 Allowed Glycine 0 CA--C 1.532 1.112 0 CA-C-N 111.349 -2.66 . . . . 0.0 107.898 169.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.1 t30 34.51 -96.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 112.48 -1.86 . . . . 0.0 114.763 165.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -72.63 -41.61 65.34 Favored 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.185 1.553 . . . . 0.0 111.663 -169.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.02 -38.4 82.69 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 CA-C-N 112.846 -1.979 . . . . 0.0 109.862 -176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.96 -42.52 60.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 110.452 -3.067 . . . . 0.0 111.864 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -57.68 -56.29 23.86 Favored 'General case' 0 C--N 1.347 0.463 0 CA-C-N 113.888 -1.506 . . . . 0.0 112.402 -169.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -53.4 -46.72 69.82 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 125.656 1.847 . . . . 0.0 112.192 -165.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.9 t -74.96 -26.84 59.89 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 112.308 -2.224 . . . . 0.0 112.039 -170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.4 m-30 -70.91 -33.41 70.51 Favored 'General case' 0 C--N 1.355 0.825 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.84 -36.98 78.81 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.196 -1.82 . . . . 0.0 109.395 176.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -68.44 -20.59 64.65 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.017 -1.902 . . . . 0.0 112.825 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.23 2.67 56.19 Favored 'General case' 0 C--N 1.359 0.99 0 O-C-N 123.877 0.736 . . . . 0.0 110.019 -169.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.77 19.93 79.75 Favored Glycine 0 C--N 1.354 1.552 0 CA-C-N 113.69 -1.596 . . . . 0.0 111.635 -175.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.56 142.99 27.43 Favored 'General case' 0 C--N 1.363 1.153 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.337 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -77.98 104.46 8.56 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.547 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.8 t -127.09 132.93 69.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.563 0 CA-C-N 113.525 -1.67 . . . . 0.0 107.929 -165.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.65 115.57 25.3 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 CA-C-N 111.683 -2.508 . . . . 0.0 107.799 -162.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -85.98 97.93 10.53 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.964 -1.471 . . . . 0.0 107.324 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.68 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -75.04 -25.77 18.63 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.383 -2.189 . . . . 0.0 111.807 -169.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 151.42 139.46 2.98 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 113.987 -1.46 . . . . 0.0 109.969 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 95.0 t -93.77 127.65 45.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 168.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt 67.05 101.98 0.05 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 112.705 -2.043 . . . . 0.0 108.227 -160.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -164.21 177.03 8.67 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 111.918 -2.401 . . . . 0.0 106.915 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 m -158.94 172.28 18.5 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 114.132 -1.395 . . . . 0.0 108.11 177.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -48.08 -28.79 3.07 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-N 112.79 -2.004 . . . . 0.0 115.84 -161.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.12 -36.55 82.16 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 123.943 0.777 . . . . 0.0 111.843 177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -68.95 -41.38 78.11 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 113.677 -1.601 . . . . 0.0 112.078 177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.448 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 1.3 m-85 -76.23 -33.48 59.22 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-O 122.388 1.089 . . . . 0.0 113.439 -176.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.86 -49.43 20.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 110.904 -2.862 . . . . 0.0 110.234 161.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -75.11 -28.79 60.37 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.337 1.648 . . . . 0.0 111.919 -166.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.27 -28.89 61.42 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 124.991 1.432 . . . . 0.0 110.287 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.36 64.33 Favored 'General case' 0 C--O 1.223 -0.307 0 C-N-CA 116.791 -1.964 . . . . 0.0 112.963 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.05 -41.66 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.918 171.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.99 -50.51 13.01 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.965 -167.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.5 p -97.95 -25.7 14.9 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 125.664 1.853 . . . . 0.0 113.4 -170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.9 mttt 97.89 62.3 0.0 OUTLIER 'General case' 0 C--N 1.343 0.321 0 O-C-N 126.334 2.271 . . . . 0.0 110.547 164.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.97 125.92 20.58 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 111.866 -2.424 . . . . 0.0 111.951 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.17 -28.96 18.57 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 112.139 -2.301 . . . . 0.0 108.181 157.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pt? -140.53 145.07 36.33 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.322 174.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 42.8 mt -126.19 123.15 63.12 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 111.275 -2.693 . . . . 0.0 106.793 177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.0 t -112.64 140.06 47.72 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.777 -2.011 . . . . 0.0 108.526 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -124.23 121.97 63.11 Favored 'Isoleucine or valine' 0 C--N 1.342 0.273 0 CA-C-N 111.659 -2.519 . . . . 0.0 107.344 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.5 112.59 24.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 112.405 -2.18 . . . . 0.0 105.77 174.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.4 p -135.25 109.85 8.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 112.261 -2.245 . . . . 0.0 106.997 -167.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp -154.78 52.4 0.64 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-N 113.061 -1.881 . . . . 0.0 111.466 -142.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -152.46 7.1 0.43 Allowed 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 111.979 -2.373 . . . . 0.0 111.694 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.78 13.65 62.37 Favored Glycine 0 C--N 1.355 1.592 0 O-C-N 123.859 0.724 . . . . 0.0 113.59 174.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -135.35 37.61 2.94 Favored 'General case' 0 C--N 1.349 0.585 0 N-CA-C 106.746 -1.575 . . . . 0.0 106.746 173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -71.54 -21.37 78.74 Favored Glycine 0 CA--C 1.536 1.358 0 CA-C-N 111.86 -2.427 . . . . 0.0 112.606 -168.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -80.16 -34.8 37.31 Favored 'General case' 0 C--N 1.346 0.44 0 CA-C-N 112.509 -1.846 . . . . 0.0 111.183 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.93 -44.2 92.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.748 -2.024 . . . . 0.0 110.887 -174.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -77.33 -41.97 38.45 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 124.597 1.186 . . . . 0.0 113.376 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 93.6 m -74.74 -44.12 51.45 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-N 114.795 -1.093 . . . . 0.0 112.971 -165.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -57.54 133.69 55.47 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 124.97 1.419 . . . . 0.0 111.801 -172.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.21 12.09 71.27 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 112.505 -2.134 . . . . 0.0 112.765 -175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.4 -25.64 57.75 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.428 0.722 . . . . 0.0 110.266 154.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -54.07 -57.27 11.7 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 124.579 1.175 . . . . 0.0 109.814 168.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.471 7.3 tp10 -77.48 -25.9 50.83 Favored 'General case' 0 CA--C 1.492 -1.278 0 N-CA-C 118.263 2.69 . . . . 0.0 118.263 -179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 93.0 mttt -76.28 -29.41 57.4 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 125.033 1.458 . . . . 0.0 113.605 168.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.61 -42.66 51.19 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-O 123.999 1.857 . . . . 0.0 109.788 174.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.264 14.1 m-20 -73.59 -26.9 61.02 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-N 109.245 -3.616 . . . . 0.0 111.658 178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.318 25.7 mm-40 -73.67 -33.62 64.54 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 113.201 -1.818 . . . . 0.0 113.561 167.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.86 6.38 3.34 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.326 -1.761 . . . . 0.0 113.144 -175.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.08 33.32 36.69 Favored Glycine 0 C--N 1.35 1.33 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.71 177.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB3' HD13 ' A' ' 86' ' ' ILE . 42.1 mt -135.86 62.62 1.62 Allowed 'General case' 0 C--N 1.348 0.511 0 CA-C-N 112.227 -1.987 . . . . 0.0 107.202 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 115.94 28.19 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.875 -1.966 . . . . 0.0 107.675 175.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.27 -24.4 1.72 Allowed Glycine 0 C--N 1.342 0.874 0 CA-C-N 113.101 -1.863 . . . . 0.0 108.487 -171.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.514 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -64.92 124.73 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 111.632 -2.284 . . . . 0.0 109.004 166.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.55 136.42 33.14 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 110.601 -3.0 . . . . 0.0 107.805 161.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.564 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -110.35 134.61 52.13 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-O 122.966 1.365 . . . . 0.0 111.12 -174.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.89 142.91 37.25 Favored 'General case' 0 C--N 1.347 0.492 0 CA-C-N 110.412 -3.086 . . . . 0.0 108.735 166.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.8 p -136.33 123.73 33.43 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 112.509 -2.132 . . . . 0.0 108.052 174.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.95 151.99 23.85 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 114.228 -1.351 . . . . 0.0 112.397 -172.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.61 -147.35 18.27 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.135 -2.032 . . . . 0.0 109.205 176.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -77.92 87.93 4.11 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-O 123.053 1.406 . . . . 0.0 107.942 166.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -77.51 -34.22 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 CA-C-N 110.462 -3.063 . . . . 0.0 111.938 -167.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 24.2 t -134.4 169.35 21.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.683 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.0 p -88.05 49.74 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.838 -1.983 . . . . 0.0 111.084 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 95.75 -48.92 1.82 Allowed Glycine 0 C--N 1.353 1.523 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.606 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -67.94 167.83 12.96 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.214 -1.493 . . . . 0.0 110.845 -175.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 72.44 134.18 0.04 OUTLIER 'General case' 0 C--N 1.353 0.734 0 CA-C-N 112.361 -2.199 . . . . 0.0 111.124 172.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -137.49 127.2 25.37 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.063 -1.88 . . . . 0.0 108.151 169.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.58 3.0 m-90 35.56 -80.5 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.69 0 C-N-CA 129.452 3.101 . . . . 0.0 118.11 173.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -48.08 -35.23 25.44 Favored 'Trans proline' 0 CA--C 1.551 1.363 0 N-CA-C 115.581 1.339 . . . . 0.0 115.581 170.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -80.25 -48.51 12.96 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 113.45 -1.705 . . . . 0.0 111.957 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -59.97 -59.14 4.46 Favored 'Isoleucine or valine' 0 C--N 1.355 0.816 0 CA-C-N 114.087 -1.415 . . . . 0.0 110.453 -175.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -68.57 -27.75 66.34 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.921 -2.399 . . . . 0.0 111.884 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -53.06 -40.77 64.23 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 118.467 -1.293 . . . . 0.0 112.023 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.4 mtp85 -75.31 -53.06 9.39 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 124.507 1.13 . . . . 0.0 111.886 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -64.61 -48.31 75.38 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 114.409 -1.269 . . . . 0.0 111.88 -173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.1 mtmp? -68.92 -28.55 66.76 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 112.406 -2.179 . . . . 0.0 112.076 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.13 -30.15 70.83 Favored 'General case' 0 C--N 1.357 0.935 0 O-C-N 124.002 0.814 . . . . 0.0 112.023 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 23.5 mmt -67.9 -46.89 70.34 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.362 1.039 . . . . 0.0 109.709 168.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.63 -2.27 0.77 Allowed Glycine 0 C--N 1.353 1.517 0 CA-C-N 113.183 -1.826 . . . . 0.0 113.024 170.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -52.12 146.24 9.22 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-O 121.945 0.878 . . . . 0.0 111.34 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.86 -74.78 0.12 Allowed 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 112.795 -2.002 . . . . 0.0 110.428 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 13.6 mtt-85 -145.02 156.33 43.87 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 124.21 0.944 . . . . 0.0 110.555 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.85 138.76 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-N 112.442 -2.163 . . . . 0.0 109.623 -174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -104.94 147.34 34.32 Favored Pre-proline 0 C--N 1.36 1.06 0 O-C-N 124.873 1.358 . . . . 0.0 111.621 172.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -63.89 -179.93 0.89 Allowed 'Trans proline' 0 C--N 1.369 1.61 0 C-N-CA 121.978 1.786 . . . . 0.0 113.326 171.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -83.92 121.9 2.9 Favored 'Trans proline' 0 C--N 1.361 1.189 0 C-N-CA 121.565 1.51 . . . . 0.0 110.501 166.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.5 63.57 1.84 Allowed Glycine 0 C--N 1.349 1.265 0 CA-C-N 113.521 -1.672 . . . . 0.0 110.398 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.05 137.44 40.33 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 111.406 -2.397 . . . . 0.0 108.886 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -49.97 157.2 1.13 Allowed Pre-proline 0 C--N 1.353 0.726 0 CA-C-N 113.068 -1.878 . . . . 0.0 109.697 163.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.422 ' O ' HG13 ' A' ' 127' ' ' ILE . 74.4 Cg_endo -76.77 -31.84 3.83 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 O-C-N 122.701 0.842 . . . . 0.0 110.591 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -30.71 51.88 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 125.183 1.552 . . . . 0.0 113.56 -170.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.01 -38.61 79.35 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.093 -178.181 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.4 m -79.55 -31.34 41.99 Favored 'General case' 0 N--CA 1.437 -1.094 0 O-C-N 126.796 2.56 . . . . 0.0 110.112 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 123' ' ' PRO . 0.0 OUTLIER -75.4 -40.78 42.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 113.016 -1.902 . . . . 0.0 110.682 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.95 64.02 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 112.408 -2.178 . . . . 0.0 109.907 175.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 28.8 t0 -61.73 -55.51 29.48 Favored 'General case' 0 CA--C 1.565 1.52 0 C-N-CA 115.751 -2.379 . . . . 0.0 113.396 169.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.3 ptp -73.06 -28.9 62.58 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -171.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -69.91 -53.07 19.61 Favored 'General case' 0 C--N 1.346 0.436 0 O-C-N 125.124 1.515 . . . . 0.0 109.194 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.03 -31.83 72.27 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 114.001 -1.454 . . . . 0.0 114.085 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.84 -47.06 58.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.858 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.738 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.9 mt -90.17 3.8 52.38 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.477 1.11 . . . . 0.0 112.649 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.2 72.19 0.88 Allowed Glycine 0 C--N 1.354 1.535 0 O-C-N 124.024 0.827 . . . . 0.0 111.432 178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -148.38 158.62 7.43 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.009 -172.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.658 0 CA-C-N 113.078 -1.874 . . . . 0.0 109.994 -175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 CA--C 1.54 0.574 0 CA-C-O 121.645 0.736 . . . . 0.0 112.163 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -72.46 -53.22 12.76 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.647 -1.615 . . . . 0.0 109.827 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.01 165.36 25.86 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 112.83 -1.986 . . . . 0.0 108.378 176.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -117.05 120.78 39.4 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 112.848 -1.978 . . . . 0.0 109.03 171.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.7 m -93.61 131.51 38.82 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 110.695 -2.957 . . . . 0.0 107.415 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -132.02 122.8 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.664 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 35' ' ' VAL 0.3 2.1 t -100.01 123.94 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.816 1 CA-C-N 108.0 -4.182 . . . . 0.0 104.204 -175.882 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.18 128.91 39.01 Favored 'General case' 0 C--N 1.351 0.639 0 C-N-CA 116.652 -2.019 . . . . 0.0 108.129 173.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.11 146.02 16.13 Favored Glycine 0 C--N 1.345 1.058 0 CA-C-N 111.143 -2.753 . . . . 0.0 108.858 170.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG13 ' HA ' ' A' ' 39' ' ' VAL . 1.4 p -97.18 120.44 46.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.435 0 C-N-CA 116.74 -1.984 . . . . 0.0 106.775 168.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -107.63 144.17 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 CA-C-N 110.377 -3.101 . . . . 0.0 109.139 -166.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . 129.21 136.9 4.19 Favored Glycine 0 C--N 1.338 0.694 0 CA-C-N 110.843 -2.889 . . . . 0.0 106.742 -170.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.8 p -63.39 93.37 0.07 Allowed 'General case' 0 CA--C 1.541 0.597 0 O-C-N 125.712 1.478 . . . . 0.0 110.889 -174.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -174.54 172.36 3.12 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.607 -2.088 . . . . 0.0 109.294 -175.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -127.66 30.94 5.24 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.749 -2.023 . . . . 0.0 109.812 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -87.59 113.88 23.68 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.239 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.03 -2.59 24.92 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 113.428 -1.715 . . . . 0.0 112.987 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.89 141.31 18.24 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 O-C-N 124.244 0.965 . . . . 0.0 109.214 173.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.16 19.59 79.78 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 113.568 -1.651 . . . . 0.0 112.364 -174.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -170.37 45.65 0.03 OUTLIER 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.497 -1.352 . . . . 0.0 107.836 174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -140.72 -40.55 0.41 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.184 -2.28 . . . . 0.0 109.03 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.49 -27.17 2.77 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.689 172.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.74 -44.22 90.85 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-N 113.822 -1.536 . . . . 0.0 110.558 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -64.5 -35.66 81.67 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 111.817 -2.447 . . . . 0.0 112.117 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -53.8 -41.98 67.87 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 125.983 2.052 . . . . 0.0 112.864 -162.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 t -75.32 -30.66 60.38 Favored 'General case' 0 C--N 1.352 0.714 0 O-C-N 125.584 1.803 . . . . 0.0 112.338 -171.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -66.78 -39.8 87.95 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.908 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.57 -34.74 78.56 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 112.906 -1.952 . . . . 0.0 110.368 176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -69.84 -20.71 63.41 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 112.917 -1.947 . . . . 0.0 112.563 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.07 12.19 14.15 Favored 'General case' 0 C--N 1.358 0.956 0 O-C-N 124.066 0.854 . . . . 0.0 110.458 -165.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.19 20.56 76.66 Favored Glycine 0 C--N 1.354 1.579 0 CA-C-N 113.722 -1.581 . . . . 0.0 111.384 -174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.47 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -91.29 155.01 18.85 Favored 'General case' 0 C--N 1.361 1.085 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -174.67 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -81.63 104.75 12.26 Favored 'General case' 0 C--N 1.359 1.016 0 C-N-CA 116.847 -1.941 . . . . 0.0 106.038 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 14.0 t -127.16 116.18 43.42 Favored 'Isoleucine or valine' 0 C--N 1.352 0.696 0 CA-C-N 113.234 -1.803 . . . . 0.0 110.667 -171.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.94 115.73 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 109.989 -3.278 . . . . 0.0 107.26 167.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -85.86 97.9 10.46 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.297 -2.229 . . . . 0.0 105.742 166.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.68 -18.08 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-N 112.685 -2.052 . . . . 0.0 110.855 -174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.95 -174.91 30.63 Favored Glycine 0 C--N 1.354 1.578 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.922 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HA ' HG13 ' A' ' 10' ' ' VAL . 2.5 p -80.93 132.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.613 -1.793 . . . . 0.0 109.562 177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 tp -156.51 -139.23 0.07 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-N 111.283 -2.69 . . . . 0.0 110.174 163.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.493 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 59.8 p -166.6 15.97 0.03 OUTLIER 'General case' 0 C--N 1.353 0.735 0 O-C-N 124.565 1.166 . . . . 0.0 112.219 -168.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 t -159.67 152.53 21.66 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-O 125.06 2.362 . . . . 0.0 112.867 178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -58.8 -28.85 66.36 Favored 'General case' 0 C--O 1.217 -0.625 1 CA-C-N 107.985 -4.188 . . . . 0.0 111.881 -177.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -52.55 -37.95 58.8 Favored 'General case' 0 CA--C 1.547 0.862 0 O-C-N 124.374 1.046 . . . . 0.0 112.925 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -88.93 -34.59 16.86 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.14 -1.845 . . . . 0.0 111.406 -170.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -38.21 56.63 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 122.325 1.059 . . . . 0.0 111.398 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -60.87 -32.76 53.08 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.606 0 CA-C-N 111.701 -2.5 . . . . 0.0 110.612 165.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -61.77 -36.73 81.91 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 118.571 -1.252 . . . . 0.0 110.881 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.24 -31.58 62.64 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 124.444 1.09 . . . . 0.0 112.095 171.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.11 -30.21 66.23 Favored 'General case' 0 C--O 1.22 -0.479 0 C-N-CA 115.598 -2.441 . . . . 0.0 113.398 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.58 -39.02 77.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.329 173.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.71 -50.47 24.52 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 124.709 1.256 . . . . 0.0 112.826 -171.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.3 p -101.49 -28.98 12.25 Favored 'General case' 0 N--CA 1.452 -0.349 0 O-C-N 125.569 1.793 . . . . 0.0 114.153 -171.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt 89.48 72.67 0.01 OUTLIER 'General case' 0 C--N 1.342 0.264 0 O-C-N 125.988 2.055 . . . . 0.0 109.809 173.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.77 133.24 54.03 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 109.988 -3.278 . . . . 0.0 111.237 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -90.22 -31.65 16.92 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 113.828 -1.533 . . . . 0.0 109.097 162.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.23 144.86 36.74 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 112.742 -2.026 . . . . 0.0 109.114 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.534 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.7 mt -124.5 128.07 73.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 CA-C-N 111.387 -2.642 . . . . 0.0 106.996 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 56.2 m -115.0 136.42 53.14 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 111.148 -2.751 . . . . 0.0 109.299 -172.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.25 121.8 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 110.669 -2.968 . . . . 0.0 106.298 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -109.09 115.06 29.32 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.618 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 94' ' ' ILE . 27.1 m -100.72 117.09 34.12 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.144 -1.389 . . . . 0.0 108.939 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 mt -80.11 -34.74 37.67 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 112.097 -2.319 . . . . 0.0 108.682 163.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.8 t80 90.63 59.73 0.0 OUTLIER 'General case' 0 C--N 1.351 0.647 0 CA-C-N 111.205 -2.725 . . . . 0.0 109.111 -172.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -79.19 -25.58 59.23 Favored Glycine 0 CA--C 1.54 1.62 0 CA-C-N 111.121 -2.763 . . . . 0.0 109.229 150.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 167.62 81.06 0.0 OUTLIER 'General case' 0 C--N 1.357 0.933 0 C-N-CA 127.643 2.377 . . . . 0.0 105.84 174.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.13 -45.28 8.32 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 112.844 -1.98 . . . . 0.0 112.166 -170.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.07 -36.17 35.96 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.874 -1.163 . . . . 0.0 111.533 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 mt -73.65 -44.28 53.13 Favored 'Isoleucine or valine' 0 C--N 1.349 0.55 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.362 -172.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -77.26 -31.97 55.29 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 113.963 -1.471 . . . . 0.0 112.984 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.9 p -78.18 -26.69 47.73 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.268 -0.973 . . . . 0.0 112.997 -172.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -75.78 125.74 29.66 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.539 -169.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.63 20.39 56.39 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.876 -1.965 . . . . 0.0 112.666 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 tp -75.7 -25.84 57.05 Favored 'General case' 0 C--N 1.347 0.458 0 O-C-N 124.48 0.753 . . . . 0.0 112.032 163.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -54.49 46.36 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 119.01 -1.076 . . . . 0.0 108.36 169.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.409 31.6 tt0 -77.51 -26.25 51.0 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 118.717 2.858 . . . . 0.0 118.717 -176.331 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.313 39.5 mttp -76.22 -29.14 57.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.368 1.667 . . . . 0.0 112.659 165.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.413 ' SG ' HG21 ' A' ' 86' ' ' ILE . 49.4 t -73.9 -39.74 63.67 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 123.959 1.837 . . . . 0.0 109.925 173.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -63.65 -37.44 87.35 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 109.789 -3.368 . . . . 0.0 110.911 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.293 3.5 pt-20 -73.2 -32.06 64.57 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 111.205 -2.725 . . . . 0.0 112.421 178.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 3.79 6.27 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 111.908 -2.405 . . . . 0.0 112.819 -175.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.46 34.21 45.72 Favored Glycine 0 C--N 1.352 1.444 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.653 -179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.557 ' HB3' HD13 ' A' ' 86' ' ' ILE . 40.8 mt -133.63 69.66 1.47 Allowed 'General case' 0 C--N 1.348 0.538 0 CA-C-N 112.043 -2.078 . . . . 0.0 107.139 -176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt -98.92 117.24 32.98 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-N 112.356 -2.202 . . . . 0.0 108.008 177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.16 -24.88 2.22 Favored Glycine 0 C--N 1.345 1.036 0 N-CA-C 108.159 -1.977 . . . . 0.0 108.159 -172.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.8 mp -65.01 124.72 20.46 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 CA-C-N 111.635 -2.283 . . . . 0.0 109.188 166.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' C ' HD23 ' A' ' 88' ' ' LEU . 47.3 mmtm -110.82 138.51 47.13 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 110.566 -3.015 . . . . 0.0 108.027 168.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.569 HD21 ' CG2' ' A' ' 86' ' ' ILE . 1.4 mt -109.82 133.64 52.93 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-O 124.17 1.938 . . . . 0.0 111.277 -167.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -107.87 129.93 55.04 Favored 'General case' 0 N--CA 1.45 -0.461 1 CA-C-N 108.076 -4.147 . . . . 0.0 106.84 171.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.17 123.8 34.58 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 CA-C-N 114.132 -1.394 . . . . 0.0 108.094 176.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.27 152.01 20.48 Favored Glycine 0 C--N 1.349 1.262 0 CA-C-N 114.1 -1.409 . . . . 0.0 111.838 -175.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 94' ' ' ILE . . . 118.75 -152.08 17.5 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.952 -2.124 . . . . 0.0 110.605 170.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -90.15 83.7 6.06 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 112.718 -1.741 . . . . 0.0 108.057 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.42 ' HA ' ' CB ' ' A' ' 62' ' ' SER . 4.6 pt -94.44 -3.14 10.69 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.954 -1.93 . . . . 0.0 113.65 -162.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.0 t -129.44 166.38 27.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 96' ' ' VAL . 13.8 p -71.17 88.73 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 112.023 -2.353 . . . . 0.0 111.721 -171.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 66.58 -96.83 0.31 Allowed Glycine 0 C--N 1.352 1.472 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.088 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -57.96 132.69 54.17 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 112.582 -1.809 . . . . 0.0 110.325 173.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -168.09 126.97 1.22 Allowed 'General case' 0 C--N 1.348 0.533 0 CA-C-N 112.111 -2.313 . . . . 0.0 108.345 -169.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -116.12 -27.25 6.96 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.214 -1.357 . . . . 0.0 114.132 -157.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.675 1.2 m-90 94.37 -63.04 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.789 0 N-CA-C 118.547 2.795 . . . . 0.0 118.547 -173.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.29 -33.9 97.9 Favored 'Trans proline' 0 C--N 1.359 1.11 0 CA-C-N 121.231 1.475 . . . . 0.0 114.136 173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -80.21 -37.78 32.47 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.963 -1.926 . . . . 0.0 111.324 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 99.6 t -73.44 -43.31 56.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.646 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.01 -172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -74.01 -27.93 61.19 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 114.062 -1.427 . . . . 0.0 111.393 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -57.58 -48.15 80.16 Favored 'General case' 0 C--N 1.355 0.842 0 O-C-N 124.371 1.044 . . . . 0.0 111.176 172.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.6 mtm105 -74.21 -53.14 10.44 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.927 -1.488 . . . . 0.0 111.661 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -61.04 -49.5 77.12 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 114.227 -1.351 . . . . 0.0 111.737 -171.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -70.46 -28.94 65.4 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 112.389 -2.187 . . . . 0.0 112.297 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.1 -31.76 72.45 Favored 'General case' 0 C--N 1.357 0.892 0 O-C-N 124.453 1.096 . . . . 0.0 111.73 174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.0 mmt -78.03 -21.6 50.48 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 124.599 1.187 . . . . 0.0 111.348 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 151.3 -15.77 0.87 Allowed Glycine 0 C--N 1.356 1.681 0 C-N-CA 119.305 -1.426 . . . . 0.0 114.338 165.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -59.03 132.03 52.8 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-O 122.716 1.246 . . . . 0.0 111.799 -172.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -71.61 -47.41 54.81 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 111.672 -2.513 . . . . 0.0 109.251 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -145.03 137.76 26.27 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.218 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.2 t -123.27 113.7 38.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-N 112.131 -2.304 . . . . 0.0 108.628 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.461 ' HB3' HG21 ' A' ' 121' ' ' THR . 44.4 m-85 -86.24 146.04 41.61 Favored Pre-proline 0 CA--C 1.547 0.845 0 CA-C-N 114.544 -1.207 . . . . 0.0 112.105 177.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -53.44 179.1 0.05 OUTLIER 'Trans proline' 0 C--N 1.375 1.929 0 C-N-CA 123.562 2.841 . . . . 0.0 116.872 -175.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.4 113.15 1.8 Allowed 'Trans proline' 0 C--N 1.366 1.499 0 C-N-CA 121.7 1.6 . . . . 0.0 112.57 170.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 59.89 81.37 0.08 OUTLIER Glycine 0 CA--C 1.538 1.511 0 CA-C-N 113.159 -1.837 . . . . 0.0 112.659 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.3 OUTLIER -102.05 137.47 40.28 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.268 -1.466 . . . . 0.0 110.868 -175.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.67 161.03 0.42 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 111.66 -2.518 . . . . 0.0 111.356 162.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -83.07 -19.55 5.64 Favored 'Trans proline' 0 C--N 1.355 0.909 0 C-N-CA 121.26 1.307 . . . . 0.0 113.916 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -74.03 -29.78 62.09 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 114.358 -1.292 . . . . 0.0 111.132 -171.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 1.7 m -62.88 -38.49 91.09 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 113.267 -1.788 . . . . 0.0 112.278 174.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.8 m -79.61 -31.63 41.72 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.706 2.504 . . . . 0.0 109.818 -170.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.27 -43.59 43.46 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.656 0 CA-C-N 112.335 -2.211 . . . . 0.0 111.153 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.39 -30.87 63.56 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 115.083 -0.962 . . . . 0.0 111.022 173.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.304 29.5 t70 -69.76 -28.67 65.96 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 126.146 2.154 . . . . 0.0 112.259 168.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.464 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -72.22 -36.95 69.29 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 120.057 -0.657 . . . . 0.0 111.063 173.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -65.58 -50.29 65.68 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.962 -174.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -59.5 -57.02 14.79 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 117.112 -1.835 . . . . 0.0 114.65 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 20.9 t -56.7 -47.21 82.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 113.231 -1.804 . . . . 0.0 112.867 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.454 HD12 ' SD ' ' A' ' 130' ' ' MET . 63.6 mt -89.36 10.81 21.06 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.546 1.154 . . . . 0.0 111.685 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.45 68.54 1.61 Allowed Glycine 0 C--N 1.357 1.706 0 CA-C-N 114.898 -1.046 . . . . 0.0 111.854 171.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -145.32 3.13 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 CA-C-N 112.949 -1.625 . . . . 0.0 113.793 -172.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.541 0.613 0 CA-C-N 112.633 -2.076 . . . . 0.0 109.912 -170.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptm . . . . . 0 CA--C 1.541 0.618 0 CA-C-O 121.743 0.782 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -159.9 -53.31 0.06 Allowed 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.275 -1.784 . . . . 0.0 108.421 -176.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -108.56 165.27 11.66 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 112.668 -2.06 . . . . 0.0 108.687 -179.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 109.97 21.86 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 111.957 -2.383 . . . . 0.0 106.906 167.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 53' ' ' THR . 98.7 m -89.16 134.3 34.07 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.973 171.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.475 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -111.31 122.93 66.64 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.93 -3.305 . . . . 0.0 103.857 162.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.571 HG13 HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -100.03 143.25 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.72 0 CA-C-N 109.862 -3.335 . . . . 0.0 105.136 179.859 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.35 128.71 38.25 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.283 -1.767 . . . . 0.0 107.597 164.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.88 145.72 16.07 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.538 -2.574 . . . . 0.0 109.203 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -97.59 120.37 46.84 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 C-N-CA 117.522 -1.671 . . . . 0.0 107.28 170.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 tt -99.05 141.65 16.21 Favored 'Isoleucine or valine' 0 C--N 1.352 0.678 0 CA-C-N 112.166 -2.288 . . . . 0.0 108.696 -173.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.419 ' H ' ' HA ' ' A' ' 41' ' ' SER . . . 73.88 95.97 0.1 Allowed Glycine 0 CA--C 1.533 1.188 0 CA-C-N 111.208 -2.724 . . . . 0.0 108.314 -160.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 42.8 t -63.2 162.1 12.5 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-N 112.646 -1.777 . . . . 0.0 112.122 -162.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -149.37 175.1 11.74 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 110.559 -3.018 . . . . 0.0 106.611 174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -82.11 -36.33 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.693 170.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -98.7 -155.02 0.48 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.728 -2.033 . . . . 0.0 108.38 176.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.7 81.7 0.19 Allowed 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.56 1.162 . . . . 0.0 112.05 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.3 p -132.34 -14.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-N 112.952 -1.931 . . . . 0.0 111.44 173.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.49 -32.33 19.57 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.829 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 p30 48.46 103.33 0.01 OUTLIER 'General case' 0 C--N 1.358 0.969 0 C-N-CA 126.059 1.744 . . . . 0.0 112.963 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HD2' ' H ' ' A' ' 120' ' ' GLY . 33.3 ttpt 67.04 -104.41 0.08 Allowed 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 113.31 -1.768 . . . . 0.0 111.095 171.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -130.59 8.44 2.07 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 124.271 0.982 . . . . 0.0 111.382 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.3 mt -73.06 -52.64 13.55 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.798 -143.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.88 -48.75 77.63 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 114.099 -1.41 . . . . 0.0 112.191 -167.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -46.95 -53.48 12.22 Favored 'General case' 0 C--N 1.351 0.643 0 O-C-N 125.977 2.048 . . . . 0.0 112.768 -165.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 t -78.22 -26.75 47.52 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 111.864 -2.426 . . . . 0.0 111.736 -172.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.629 ' CB ' HG21 ' A' ' 34' ' ' VAL . 9.7 m-30 -70.22 -36.89 74.85 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.032 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -35.87 79.35 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.421 175.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.35 -20.68 66.15 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.763 173.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.09 8.68 44.41 Favored 'General case' 0 C--N 1.359 1.008 0 O-C-N 123.943 0.777 . . . . 0.0 110.145 -169.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.64 20.03 79.67 Favored Glycine 0 C--N 1.354 1.555 0 CA-C-N 113.818 -1.537 . . . . 0.0 112.148 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.39 139.72 30.74 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -77.99 104.87 8.82 Favored 'General case' 0 C--N 1.363 1.161 0 N-CA-C 106.424 -1.695 . . . . 0.0 106.424 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.629 HG21 ' CB ' ' A' ' 27' ' ' PHE . 87.0 t -125.92 108.74 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 113.756 -1.565 . . . . 0.0 107.992 -165.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -102.87 120.72 53.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.585 0 CA-C-N 110.449 -3.069 . . . . 0.0 107.662 -176.551 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -85.81 100.08 11.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 112.897 -1.956 . . . . 0.0 106.594 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.571 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.78 -29.39 33.75 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.86 -166.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.42 171.88 13.13 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.944 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -88.38 125.33 41.7 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 111.637 -2.282 . . . . 0.0 107.799 167.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.9 tp -163.65 145.4 9.35 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 113.868 -1.515 . . . . 0.0 108.919 170.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' HA ' ' H ' ' A' ' 12' ' ' GLY . 97.5 p -66.9 0.66 2.33 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 111.737 -2.483 . . . . 0.0 114.476 -177.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -150.45 148.13 28.38 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-O 126.922 3.248 . . . . 0.0 115.463 -175.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' ' 47' ' ' ILE . 10.6 mt-30 -50.87 -28.8 10.32 Favored 'General case' 0 C--O 1.214 -0.794 1 CA-C-N 106.154 -5.021 . . . . 0.0 111.492 170.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -37.59 50.83 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 119.656 -0.818 . . . . 0.0 111.98 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -83.44 -29.12 28.32 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 124.728 1.267 . . . . 0.0 111.755 178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.02 -41.19 51.75 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -172.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 43' ' ' GLN . 0.9 OUTLIER -69.42 -32.73 54.3 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.09 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.808 168.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -63.78 -28.57 69.96 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 117.125 -1.83 . . . . 0.0 111.882 176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.779 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.18 -28.67 65.51 Favored 'General case' 0 C--O 1.207 -1.157 0 CA-C-O 116.303 -1.808 . . . . 0.0 112.834 165.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' ' 83' ' ' LEU . . . -73.7 -30.46 62.87 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 170.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.26 -33.42 50.57 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -75.29 -50.82 14.87 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.643 -1.617 . . . . 0.0 112.071 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.022 HG21 HG21 ' A' ' 5' ' ' THR . 0.7 OUTLIER -87.38 -37.67 16.86 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 110.91 -2.859 . . . . 0.0 111.82 -167.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.447 ' N ' HG23 ' A' ' 53' ' ' THR . 53.4 mttp 82.88 79.92 0.03 OUTLIER 'General case' 0 C--N 1.355 0.843 0 CA-C-N 111.734 -2.485 . . . . 0.0 110.177 -168.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.37 141.6 39.74 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-N 112.081 -2.327 . . . . 0.0 111.996 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.51 -31.3 16.81 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 113.012 -1.903 . . . . 0.0 110.095 154.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.6 pt? -140.44 145.1 36.54 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 122.883 1.325 . . . . 0.0 112.558 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.1 mt -124.48 130.61 73.49 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 111.087 -2.778 . . . . 0.0 107.012 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.53 141.11 48.15 Favored 'General case' 0 C--N 1.353 0.736 0 CA-C-N 113.245 -1.798 . . . . 0.0 110.356 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -128.67 126.58 65.43 Favored 'Isoleucine or valine' 0 C--N 1.348 0.505 0 CA-C-N 111.356 -2.656 . . . . 0.0 107.296 -176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.21 112.93 23.95 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.462 -1.699 . . . . 0.0 108.885 -175.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -101.38 121.41 41.87 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 112.749 -2.023 . . . . 0.0 108.963 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -167.74 52.25 0.06 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 112.324 -2.216 . . . . 0.0 108.041 -178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -138.91 -32.94 0.66 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.235 -170.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -176.6 -53.01 0.06 OUTLIER Glycine 0 C--N 1.355 1.604 0 C-N-CA 119.626 -1.273 . . . . 0.0 111.642 -169.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -179.71 105.04 0.03 OUTLIER 'General case' 0 C--N 1.354 0.772 0 CA-C-O 122.573 1.178 . . . . 0.0 109.732 -170.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.36 -27.81 56.88 Favored Glycine 0 C--N 1.345 1.079 0 CA-C-N 112.546 -2.115 . . . . 0.0 114.496 -167.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -72.18 -33.89 68.02 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-O 122.911 1.339 . . . . 0.0 110.017 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 37.5 mm -66.43 -44.04 90.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 111.156 -2.747 . . . . 0.0 110.556 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -75.85 -56.05 5.04 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.978 -1.465 . . . . 0.0 112.533 -168.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.5 p -78.22 -26.7 47.53 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 112.276 -2.238 . . . . 0.0 114.236 -159.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -69.42 127.99 34.96 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.026 0.917 . . . . 0.0 111.104 -171.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 102.38 14.51 27.82 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.63 -171.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.71 -31.27 59.59 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 124.577 0.81 . . . . 0.0 111.876 159.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -40.79 98.7 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 115.877 -2.329 . . . . 0.0 109.822 173.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.36 20.0 tp10 -77.79 -26.77 49.92 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -76.45 -29.94 57.15 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 124.899 1.375 . . . . 0.0 112.822 165.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 86' ' ' ILE . 14.0 t -77.58 -29.02 51.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 123.628 1.68 . . . . 0.0 112.297 173.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -73.02 -42.95 62.67 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 110.986 -2.824 . . . . 0.0 109.235 172.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 34.8 mt-10 -73.24 -29.57 62.86 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 109.58 -3.464 . . . . 0.0 113.289 -176.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.7 -2.95 25.37 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 113.085 -1.871 . . . . 0.0 112.663 -176.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 21.78 75.66 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.467 -171.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' ' 50' ' ' ALA . 35.8 mt -108.53 23.33 14.68 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.724 -1.738 . . . . 0.0 109.875 -175.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.7 114.44 9.79 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 122.466 1.127 . . . . 0.0 110.407 -179.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.6 -30.47 0.76 Allowed Glycine 0 C--N 1.345 1.035 0 CA-C-N 111.887 -2.415 . . . . 0.0 107.925 -172.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.435 ' HB ' ' SG ' ' A' ' 78' ' ' CYS . 1.6 mp -64.95 129.7 29.35 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 111.46 -2.37 . . . . 0.0 110.25 167.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -94.02 144.34 25.55 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 110.346 -3.115 . . . . 0.0 109.159 161.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.521 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.9 mt -115.27 135.22 54.39 Favored 'General case' 0 C--N 1.354 0.801 0 CA-C-O 122.88 1.324 . . . . 0.0 112.249 -172.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -107.93 146.29 32.6 Favored 'General case' 0 C--N 1.351 0.669 0 CA-C-N 110.97 -2.832 . . . . 0.0 108.165 166.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -136.47 123.97 33.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 112.829 -1.987 . . . . 0.0 107.839 175.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -127.7 152.07 18.78 Favored Glycine 0 C--N 1.353 1.521 0 O-C-N 124.153 0.908 . . . . 0.0 112.425 -168.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.32 -150.48 17.01 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 112.267 -1.967 . . . . 0.0 111.031 175.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -89.49 84.73 6.41 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 113.054 -1.573 . . . . 0.0 108.637 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 116' ' ' VAL . 10.1 pt -105.34 -26.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 112.892 -1.958 . . . . 0.0 111.941 -167.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.534 HG22 ' H ' ' A' ' 96' ' ' VAL . 7.5 p -93.0 -152.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.534 ' H ' HG22 ' A' ' 95' ' ' VAL . 22.0 t -79.32 79.65 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 112.866 -1.97 . . . . 0.0 108.866 174.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 73.95 -90.05 0.68 Allowed Glycine 0 C--N 1.353 1.496 0 CA-C-N 112.791 -2.004 . . . . 0.0 110.514 -172.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.0 pttt -166.52 90.8 0.42 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 111.917 -2.141 . . . . 0.0 107.929 176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.58 -101.07 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 112.783 -2.008 . . . . 0.0 111.335 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -157.02 97.04 1.64 Allowed 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 113.802 -1.545 . . . . 0.0 108.707 -175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.434 1.5 m-90 -18.32 -50.42 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 121.005 3.705 . . . . 0.0 121.005 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 CA-C-N 120.559 1.235 . . . . 0.0 114.589 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -80.17 -36.88 34.39 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 112.692 -2.049 . . . . 0.0 112.959 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.7 t -74.86 -41.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 O-C-N 124.021 0.826 . . . . 0.0 111.04 -172.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -74.02 -28.16 61.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.122 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -63.34 -34.98 78.89 Favored 'General case' 0 C--N 1.355 0.834 0 C-N-CA 118.856 -1.138 . . . . 0.0 111.59 171.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -72.81 -53.11 12.39 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 114.294 -1.321 . . . . 0.0 110.637 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -75.09 -28.96 60.49 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 113.245 -1.798 . . . . 0.0 112.785 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.7 mtpt -81.03 -31.97 34.31 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 124.837 1.335 . . . . 0.0 111.421 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.83 -28.01 69.26 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 124.729 1.268 . . . . 0.0 111.126 173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 11.6 mmt -80.29 -44.42 19.62 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 113.374 -1.739 . . . . 0.0 110.391 176.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 153.88 -22.96 0.7 Allowed Glycine 0 C--N 1.356 1.668 0 C-N-CA 119.759 -1.21 . . . . 0.0 114.904 174.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -69.53 115.94 9.36 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 121.393 0.616 . . . . 0.0 110.075 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -53.43 -47.26 69.81 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 112.637 -2.074 . . . . 0.0 112.371 -171.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.27 156.08 43.61 Favored 'General case' 0 C--N 1.351 0.646 0 CA-C-N 114.361 -1.29 . . . . 0.0 110.497 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.433 HG13 HD11 ' A' ' 94' ' ' ILE . 88.9 t -119.36 131.8 70.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 112.115 -2.311 . . . . 0.0 109.527 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.84 137.57 19.83 Favored Pre-proline 0 C--N 1.359 0.983 0 O-C-N 124.948 1.405 . . . . 0.0 109.847 161.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo -64.08 -178.11 0.56 Allowed 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 121.861 1.707 . . . . 0.0 113.314 170.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -85.57 123.3 2.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.656 1.57 . . . . 0.0 108.929 163.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.479 ' H ' ' HD2' ' A' ' 21' ' ' LYS . . . 92.74 47.86 3.08 Favored Glycine 0 C--N 1.348 1.239 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.825 -177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.5 m -102.04 137.4 40.37 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 113.1 -1.55 . . . . 0.0 108.782 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -56.3 162.59 3.01 Favored Pre-proline 0 CA--C 1.551 1.013 0 O-C-N 125.353 1.658 . . . . 0.0 110.262 163.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.07 -14.62 8.43 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.148 1.232 . . . . 0.0 114.018 170.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -70.96 -29.73 65.81 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.746 -172.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -67.04 -36.07 81.26 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 112.944 -1.935 . . . . 0.0 112.437 175.325 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.467 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 6.2 m -79.45 -33.31 42.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 O-C-N 126.218 2.199 . . . . 0.0 108.775 -171.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.2 mt -73.96 -41.16 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 112.013 -2.358 . . . . 0.0 110.4 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.95 63.87 Favored 'General case' 0 C--N 1.346 0.446 0 O-C-N 125.301 1.626 . . . . 0.0 110.427 177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 60.5 t0 -62.47 -55.16 30.25 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 112.337 -2.21 . . . . 0.0 112.013 171.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.1 ptp -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -64.49 -57.1 10.15 Favored 'General case' 0 C--N 1.347 0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.077 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -63.49 -33.74 76.25 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.295 -1.775 . . . . 0.0 113.997 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.2 t -71.15 -43.03 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.069 -1.423 . . . . 0.0 111.848 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.18 3.52 23.37 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 124.329 1.018 . . . . 0.0 111.791 -176.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 79.61 53.9 4.16 Favored Glycine 0 C--N 1.355 1.639 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.036 176.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.4 t -141.0 160.71 23.19 Favored 'Isoleucine or valine' 0 C--N 1.349 0.568 0 CA-C-N 112.497 -1.852 . . . . 0.0 106.477 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 113.995 -1.457 . . . . 0.0 109.527 178.036 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.6 mmm . . . . . 0 CA--C 1.532 0.281 0 CA-C-O 121.573 0.701 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 77.37 -75.02 0.06 Allowed 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.323 -2.217 . . . . 0.0 110.487 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.95 165.35 11.26 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 113.246 -1.797 . . . . 0.0 106.998 169.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.98 109.79 20.56 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.563 -1.653 . . . . 0.0 107.092 167.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 53' ' ' THR . 78.9 m -95.31 133.14 39.55 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-N 112.021 -2.354 . . . . 0.0 107.215 166.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.45 129.8 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.947 0 CA-C-N 109.744 -3.389 . . . . 0.0 104.39 162.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.633 HG13 HG21 ' A' ' 37' ' ' ILE 0.252 1.1 t -110.25 134.62 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 CA-C-N 110.498 -3.046 . . . . 0.0 104.979 -175.638 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -132.52 128.56 37.58 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 115.4 -2.52 . . . . 0.0 109.474 171.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.31 145.86 16.02 Favored Glycine 0 C--N 1.346 1.092 0 CA-C-N 111.684 -2.507 . . . . 0.0 111.001 172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.1 t -97.62 120.3 46.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 C-N-CA 117.309 -1.756 . . . . 0.0 106.955 165.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.6 tt -96.85 144.03 11.29 Favored 'Isoleucine or valine' 0 C--N 1.352 0.691 0 CA-C-N 112.238 -2.255 . . . . 0.0 108.649 -170.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.34 -103.5 2.18 Favored Glycine 0 C--N 1.346 1.128 0 CA-C-N 111.643 -2.526 . . . . 0.0 108.422 -166.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 m -160.99 17.09 0.11 Allowed 'General case' 0 C--N 1.353 0.732 0 O-C-N 125.504 1.355 . . . . 0.0 112.318 -177.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.9 t70 60.08 85.06 0.11 Allowed 'General case' 0 C--N 1.354 0.775 0 O-C-N 124.503 1.127 . . . . 0.0 111.923 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 80.7 m -93.46 -61.1 1.62 Allowed 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.954 -1.93 . . . . 0.0 107.455 165.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -98.57 -174.56 2.84 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 111.997 -2.365 . . . . 0.0 107.357 167.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.74 68.43 0.19 Allowed 'General case' 0 C--N 1.349 0.577 0 CA-C-N 114.036 -1.438 . . . . 0.0 109.512 175.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 p -80.37 88.68 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-N 112.716 -2.038 . . . . 0.0 108.6 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 140.9 -13.06 2.88 Favored Glycine 0 CA--C 1.537 1.414 0 CA-C-N 111.933 -2.394 . . . . 0.0 110.901 -172.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -157.15 58.53 0.52 Allowed 'General case' 0 C--N 1.357 0.907 0 O-C-N 124.683 0.872 . . . . 0.0 110.283 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -145.58 -46.52 0.21 Allowed 'General case' 0 C--N 1.352 0.682 0 CA-C-N 113.538 -1.664 . . . . 0.0 109.885 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.404 ' C ' HD12 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -123.66 -35.94 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.985 -1.916 . . . . 0.0 108.749 174.392 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 23' ' ' LEU . 13.7 mt -65.33 -45.75 83.05 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 111.474 -2.603 . . . . 0.0 111.325 -169.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -56.14 -50.46 71.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.679 -1.6 . . . . 0.0 113.057 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -56.75 -40.43 75.79 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 125.421 1.7 . . . . 0.0 111.279 -174.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -64.5 -35.87 82.34 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 113.129 -1.851 . . . . 0.0 112.631 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.417 ' CZ ' HG21 ' A' ' 126' ' ' THR . 6.8 m-30 -73.99 -37.53 64.4 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.499 -176.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' A' ' 28' ' ' THR . 0.3 OUTLIER -66.67 -34.85 78.78 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-N 113.26 -1.791 . . . . 0.0 110.139 178.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.59 -20.46 62.0 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 112.322 -2.217 . . . . 0.0 112.682 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.36 1.7 27.83 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.913 0.758 . . . . 0.0 111.014 -168.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.01 20.17 76.31 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 113.639 -1.619 . . . . 0.0 110.599 -172.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -90.74 153.69 20.08 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 117.676 -1.609 . . . . 0.0 107.364 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.95 104.89 8.79 Favored 'General case' 0 C--N 1.357 0.895 0 N-CA-C 104.753 -2.314 . . . . 0.0 104.753 168.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.9 t -123.81 108.71 21.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.523 0 CA-C-N 113.678 -1.601 . . . . 0.0 108.569 -176.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -101.22 111.05 29.67 Favored 'Isoleucine or valine' 0 C--N 1.347 0.478 0 CA-C-N 110.195 -3.184 . . . . 0.0 106.765 178.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.84 103.19 14.36 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.239 -1.801 . . . . 0.0 107.256 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.633 HG21 HG13 ' A' ' 7' ' ' VAL . 1.3 pp -71.91 -29.46 33.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 111.752 -2.477 . . . . 0.0 112.117 -165.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.18 145.54 4.15 Favored Glycine 0 C--N 1.354 1.532 0 O-C-N 124.954 1.409 . . . . 0.0 111.525 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.5 m -80.9 132.7 31.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.654 0 CA-C-N 112.351 -1.925 . . . . 0.0 106.685 162.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.6 tt 73.72 124.66 0.04 OUTLIER 'General case' 0 C--N 1.353 0.759 0 O-C-N 125.562 1.788 . . . . 0.0 108.526 -159.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -159.79 176.44 11.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 113.648 -1.614 . . . . 0.0 110.718 -174.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 t -157.01 161.75 39.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.094 166.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -51.67 -28.97 16.3 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.805 1.316 . . . . 0.0 113.493 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.32 -34.6 68.91 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 124.902 1.376 . . . . 0.0 112.559 177.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -82.56 -37.03 25.7 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.081 -1.872 . . . . 0.0 112.55 -175.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CE2' HG13 ' A' ' 60' ' ' VAL . 1.4 m-85 -76.31 -34.55 59.03 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-O 122.712 1.244 . . . . 0.0 113.181 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mt -50.6 -46.76 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 CA-C-N 110.488 -3.051 . . . . 0.0 111.352 159.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -67.16 -34.16 76.97 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.694 1.246 . . . . 0.0 111.359 -170.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.796 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.1 -28.78 61.52 Favored 'General case' 0 C--O 1.205 -1.249 0 CA-C-O 116.829 -1.558 . . . . 0.0 112.026 171.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 83' ' ' LEU . . . -73.88 -30.44 62.63 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 119.001 -1.079 . . . . 0.0 113.365 172.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -70.23 -36.35 67.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 173.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.03 -50.83 29.78 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 113.625 -1.625 . . . . 0.0 111.498 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.052 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.65 -38.94 13.55 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 110.149 -3.205 . . . . 0.0 111.384 -166.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.413 ' N ' HG23 ' A' ' 53' ' ' THR . 6.8 mtmp? 82.62 83.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.774 0 CA-C-N 112.028 -2.351 . . . . 0.0 109.172 -164.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.64 134.65 45.22 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 112.432 -2.167 . . . . 0.0 111.197 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.39 -32.78 16.3 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.783 -1.553 . . . . 0.0 109.956 158.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.311 2.5 pt? -140.36 145.13 36.73 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 123.185 1.469 . . . . 0.0 111.633 177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.54 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 20.5 mt -126.53 120.75 57.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 110.6 -3.0 . . . . 0.0 107.002 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 14.8 t -115.14 138.47 50.87 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.053 -1.885 . . . . 0.0 109.096 -174.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -123.51 135.94 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 112.025 -2.352 . . . . 0.0 108.459 -178.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.27 112.64 25.6 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 112.602 -2.09 . . . . 0.0 106.757 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 82.1 p -115.97 136.95 52.56 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 113.319 -1.764 . . . . 0.0 108.133 -171.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.6 mt -123.69 -2.3 8.37 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 113.847 -1.524 . . . . 0.0 112.423 -156.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -156.77 -172.36 4.02 Favored 'General case' 0 C--N 1.35 0.605 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -156.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -86.5 22.53 12.9 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 112.843 -1.98 . . . . 0.0 112.053 171.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -122.03 12.63 10.43 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.827 0.957 . . . . 0.0 109.826 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.37 -21.46 67.08 Favored Glycine 0 CA--C 1.535 1.327 0 O-C-N 124.121 0.888 . . . . 0.0 111.218 177.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -71.55 -28.01 63.56 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 112.81 -1.695 . . . . 0.0 111.433 174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 25.4 mt -91.1 -44.4 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 CA-C-N 113.808 -1.542 . . . . 0.0 110.998 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.35 -41.72 39.32 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 113.257 -1.792 . . . . 0.0 112.2 -168.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 35.4 m -78.22 -45.61 22.54 Favored 'General case' 0 C--N 1.351 0.634 0 O-C-N 125.018 1.449 . . . . 0.0 111.712 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 tmtm? -69.22 134.14 48.83 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 114.303 -1.317 . . . . 0.0 111.138 -171.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.88 10.79 71.62 Favored Glycine 0 C--N 1.354 1.565 0 CA-C-N 112.837 -1.983 . . . . 0.0 112.542 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 tp -75.26 -25.66 58.21 Favored 'General case' 0 C--O 1.217 -0.618 0 O-C-N 125.024 1.073 . . . . 0.0 109.253 154.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.4 ttm105 -57.66 -53.99 51.96 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 113.93 -1.486 . . . . 0.0 109.815 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.372 11.5 mp0 -77.48 -26.28 51.16 Favored 'General case' 0 CA--C 1.491 -1.322 0 N-CA-C 118.075 2.62 . . . . 0.0 118.075 176.683 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.398 20.9 ttmt -76.31 -29.18 57.23 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 125.2 1.563 . . . . 0.0 112.997 170.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 45.0 t -77.12 -38.2 52.61 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-O 123.473 1.606 . . . . 0.0 110.826 172.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.65 -43.65 98.45 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 110.247 -3.16 . . . . 0.0 109.001 173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.337 2.3 pt-20 -73.27 -29.84 63.01 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 110.644 -2.98 . . . . 0.0 112.863 -177.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.75 3.0 7.09 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 112.645 -2.071 . . . . 0.0 112.813 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.19 35.95 32.64 Favored Glycine 0 C--N 1.351 1.417 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.696 177.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' HB3' HD13 ' A' ' 86' ' ' ILE . 32.9 mt -135.23 71.96 1.44 Allowed 'General case' 0 C--N 1.347 0.489 0 CA-C-N 111.716 -2.242 . . . . 0.0 107.325 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -102.22 117.68 35.27 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 113.076 -1.874 . . . . 0.0 108.148 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.05 -20.57 2.12 Favored Glycine 0 C--N 1.345 1.031 0 CA-C-N 112.874 -1.966 . . . . 0.0 108.498 -174.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.489 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -64.92 124.71 20.33 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 CA-C-N 111.685 -2.258 . . . . 0.0 109.611 170.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -91.32 135.85 33.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 109.445 -3.525 . . . . 0.0 108.024 161.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.54 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 15.2 mt -109.96 134.9 51.61 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.979 1.371 . . . . 0.0 111.307 -175.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -107.62 136.21 47.76 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 110.234 -3.166 . . . . 0.0 106.328 169.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 p -135.25 123.79 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 112.189 -2.278 . . . . 0.0 105.72 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.61 152.08 22.77 Favored Glycine 0 C--N 1.349 1.258 0 C-N-CA 118.397 -1.858 . . . . 0.0 113.157 -170.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.71 -149.51 19.39 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 109.506 -3.347 . . . . 0.0 110.04 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -78.82 95.71 5.45 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 122.382 1.086 . . . . 0.0 109.86 -175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.0 pt -89.44 -43.99 15.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.339 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.571 HG12 ' H ' ' A' ' 96' ' ' VAL . 21.7 t -102.66 177.29 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 174.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.571 ' H ' HG12 ' A' ' 95' ' ' VAL . 7.6 p -84.54 33.56 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 124.183 0.927 . . . . 0.0 113.078 -171.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.73 -52.06 3.91 Favored Glycine 0 CA--C 1.536 1.36 0 CA-C-N 114.09 -1.414 . . . . 0.0 110.777 -173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -60.61 148.58 37.78 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.071 -1.565 . . . . 0.0 110.534 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 71.36 134.8 0.04 OUTLIER 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.118 -1.855 . . . . 0.0 109.999 -176.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -133.74 131.73 39.74 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.231 -168.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.572 1.5 m-90 36.9 -71.04 0.0 OUTLIER Pre-proline 0 C--N 1.351 0.641 1 C-N-CA 132.057 4.143 . . . . 0.0 119.888 154.83 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.98 -39.9 40.46 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.857 1.342 . . . . 0.0 114.356 167.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.25 -45.04 18.64 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 112.449 -2.159 . . . . 0.0 112.543 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.7 t -75.0 -34.91 33.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 O-C-N 124.528 1.142 . . . . 0.0 111.716 -169.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -74.03 -38.4 64.04 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 114.371 -1.286 . . . . 0.0 110.698 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -60.37 -33.33 72.3 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 118.556 -1.258 . . . . 0.0 111.575 174.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -75.24 -53.13 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.426 -1.261 . . . . 0.0 111.001 -176.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -75.04 -41.44 59.11 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 113.961 -1.472 . . . . 0.0 111.395 -168.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -70.28 -28.89 65.56 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 113.071 -1.877 . . . . 0.0 112.275 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.33 -29.33 69.51 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 119.354 -0.938 . . . . 0.0 111.974 174.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 35.4 mmt -70.78 -39.03 73.43 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.395 1.059 . . . . 0.0 109.719 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.06 10.9 0.72 Allowed Glycine 0 C--N 1.355 1.607 0 CA-C-N 113.915 -1.493 . . . . 0.0 113.757 166.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.01 137.33 58.24 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.722 -0.791 . . . . 0.0 109.845 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -63.53 -52.88 59.26 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.085 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -144.87 141.26 28.94 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.105 -1.861 . . . . 0.0 108.734 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.26 113.7 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 CA-C-N 113.29 -1.777 . . . . 0.0 109.296 -175.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -103.18 147.19 33.77 Favored Pre-proline 0 C--N 1.361 1.079 0 O-C-N 124.515 1.135 . . . . 0.0 113.407 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -85.33 169.73 9.66 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.806 2.338 . . . . 0.0 112.101 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -62.85 116.68 3.71 Favored 'Trans proline' 0 C--N 1.365 1.407 0 C-N-CA 121.72 1.613 . . . . 0.0 111.772 170.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.71 74.17 1.27 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 112.279 -2.237 . . . . 0.0 110.898 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.06 137.29 40.53 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 112.778 -1.711 . . . . 0.0 107.96 176.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.34 156.07 77.65 Favored Pre-proline 0 CA--C 1.545 0.787 0 CA-C-N 114.137 -1.392 . . . . 0.0 109.321 164.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -83.05 -19.27 5.8 Favored 'Trans proline' 0 C--N 1.356 0.928 0 O-C-N 123.384 1.202 . . . . 0.0 115.079 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.96 -29.79 65.89 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.314 1.009 . . . . 0.0 110.577 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -33.08 71.25 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 112.674 -2.057 . . . . 0.0 112.28 176.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.417 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 1.6 m -79.13 -35.81 41.57 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 126.017 2.073 . . . . 0.0 108.787 -172.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 83.4 mt -75.12 -33.01 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.86 0 CA-C-N 110.973 -2.83 . . . . 0.0 109.524 -177.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.37 -40.6 64.25 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.226 173.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' O ' HG23 ' A' ' 133' ' ' VAL 0.384 6.7 p30 -74.39 -33.99 63.19 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 114.054 -3.058 . . . . 0.0 114.182 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 20.7 ptp -65.9 -33.54 76.08 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.904 176.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.06 -57.27 4.15 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 114.103 -1.408 . . . . 0.0 109.911 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -57.64 -34.27 69.16 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 113.843 -1.526 . . . . 0.0 114.647 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 129' ' ' ASP . 25.1 t -68.53 -43.55 83.6 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 114.32 -1.309 . . . . 0.0 111.1 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 83.9 mt -98.05 19.91 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 124.587 1.179 . . . . 0.0 112.15 -171.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 72.12 57.62 5.61 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-N 115.017 -0.992 . . . . 0.0 112.149 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -148.93 160.23 5.79 Favored 'Isoleucine or valine' 0 C--N 1.347 0.488 0 CA-C-N 112.571 -1.815 . . . . 0.0 106.961 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.542 0.641 0 CA-C-N 113.758 -1.565 . . . . 0.0 109.517 178.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 48.7 mtm . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 121.922 0.868 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 80.58 -4.69 1.79 Allowed 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.309 -2.223 . . . . 0.0 112.331 -177.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HZ3' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -105.94 165.38 11.24 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 124.139 0.899 . . . . 0.0 109.446 178.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -87.67 109.86 19.99 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 112.642 -2.072 . . . . 0.0 107.367 164.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 53' ' ' THR . 37.6 m -97.21 127.58 43.31 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.604 -1.635 . . . . 0.0 107.823 166.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.579 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.75 123.0 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.844 0 CA-C-N 110.333 -3.121 . . . . 0.0 104.119 160.213 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 37' ' ' ILE 0.314 1.1 t -99.93 133.88 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.701 0 CA-C-N 109.313 -3.585 . . . . 0.0 102.566 -179.012 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.76 129.05 38.13 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 115.964 -2.294 . . . . 0.0 109.565 169.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.03 145.82 16.07 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 112.578 -2.101 . . . . 0.0 109.694 170.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.43 ' HB ' HG12 ' A' ' 39' ' ' VAL . 89.1 t -97.6 120.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 171.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.424 HG21 ' SG ' ' A' ' 71' ' ' CYS . 6.6 tt -103.06 117.98 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 111.443 -2.617 . . . . 0.0 108.8 -163.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.24 -114.96 0.64 Allowed Glycine 0 C--N 1.344 0.981 0 CA-C-N 111.522 -2.581 . . . . 0.0 108.571 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.4 m -165.15 130.71 2.64 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 113.647 -1.277 . . . . 0.0 108.219 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 p30 54.59 -163.14 0.13 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.289 -1.778 . . . . 0.0 112.764 175.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.2 t 78.29 52.18 0.03 OUTLIER 'General case' 0 C--N 1.352 0.693 0 CA-C-N 112.749 -2.023 . . . . 0.0 110.736 177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 m80 65.1 -157.2 0.29 Allowed 'General case' 0 C--N 1.354 0.801 0 CA-C-N 113.089 -1.869 . . . . 0.0 110.014 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.78 -68.73 0.35 Allowed 'General case' 0 C--N 1.352 0.686 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.884 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p 48.27 53.02 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.965 0 CA-C-N 111.889 -2.414 . . . . 0.0 112.447 -175.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.7 21.3 1.79 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.565 -2.107 . . . . 0.0 112.76 173.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.415 ' HB2' HG23 ' A' ' 10' ' ' VAL . 11.5 t-20 -128.64 -8.97 5.07 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.603 1.161 . . . . 0.0 109.404 174.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -138.01 128.4 26.27 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 112.884 -1.962 . . . . 0.0 106.407 168.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.287 20.6 mm 92.07 -30.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.593 0 CA-C-N 112.715 -2.038 . . . . 0.0 112.08 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.7 mt -74.26 -52.1 13.34 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 117.905 -1.518 . . . . 0.0 108.149 158.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -53.94 -56.03 21.52 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-N 111.742 -2.481 . . . . 0.0 110.494 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -56.86 -31.98 65.36 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 125.431 1.707 . . . . 0.0 113.367 -169.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -74.01 -38.97 63.91 Favored 'General case' 0 C--N 1.349 0.582 0 O-C-N 124.645 1.216 . . . . 0.0 111.764 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.528 ' HB3' HG21 ' A' ' 34' ' ' VAL . 12.6 m-30 -75.47 -37.57 60.17 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.239 -1.8 . . . . 0.0 111.031 -173.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -35.42 77.79 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.373 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -69.5 -20.62 63.72 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.132 -2.304 . . . . 0.0 112.682 174.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 6.74 23.58 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.743 0.652 . . . . 0.0 111.063 -170.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.44 17.39 79.98 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.292 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -98.23 137.9 36.3 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -77.93 104.65 8.62 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.579 HG22 HG23 ' A' ' 6' ' ' ILE . 76.5 t -122.53 109.71 24.81 Favored 'Isoleucine or valine' 0 C--N 1.345 0.412 0 C-N-CA 117.985 -1.486 . . . . 0.0 109.549 -162.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.7 t -90.96 110.68 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-N 110.287 -3.142 . . . . 0.0 107.061 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -88.0 102.13 14.44 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-O 122.824 1.297 . . . . 0.0 108.162 171.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -72.14 -30.79 37.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 CA-C-N 110.845 -2.889 . . . . 0.0 112.104 -162.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.95 163.55 11.13 Favored Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.961 -1.472 . . . . 0.0 109.881 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG12 ' HB ' ' A' ' 10' ' ' VAL . 15.6 m -109.17 117.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.77 -1.715 . . . . 0.0 109.872 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp 158.81 143.44 0.01 OUTLIER 'General case' 0 C--N 1.352 0.685 0 C-N-CA 127.844 2.458 . . . . 0.0 106.089 177.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.401 ' HA ' HG13 ' A' ' 11' ' ' ILE . 29.0 t -74.06 125.69 28.86 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 113.876 -1.511 . . . . 0.0 110.058 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p 171.86 93.96 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 111.653 -2.521 . . . . 0.0 106.748 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.23 -28.96 68.43 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.543 175.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -58.64 -25.82 63.1 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 125.024 1.453 . . . . 0.0 113.018 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -35.37 16.79 Favored 'General case' 0 C--N 1.356 0.852 0 O-C-N 124.848 1.342 . . . . 0.0 111.997 -175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -38.11 56.96 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-O 122.622 1.201 . . . . 0.0 110.104 177.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.9 mt -62.34 -32.9 56.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 110.572 -3.013 . . . . 0.0 110.88 165.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -64.79 -36.61 84.86 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 118.439 -1.305 . . . . 0.0 110.308 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.827 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.03 -28.66 61.53 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 116.637 -1.649 . . . . 0.0 112.628 174.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.34 -30.45 53.96 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 118.4 -1.32 . . . . 0.0 113.097 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.4 mt -68.88 -36.39 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 115.348 -0.842 . . . . 0.0 108.77 171.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -70.96 -50.88 29.67 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 113.902 -1.499 . . . . 0.0 111.649 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.039 HG21 HG21 ' A' ' 5' ' ' THR . 0.8 OUTLIER -92.01 -33.62 14.76 Favored 'General case' 0 C--N 1.345 0.407 0 CA-C-N 110.636 -2.984 . . . . 0.0 112.538 -167.55 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 47.6 mttp 80.73 75.5 0.03 OUTLIER 'General case' 0 C--N 1.353 0.746 0 CA-C-N 111.399 -2.637 . . . . 0.0 109.005 -168.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.8 135.68 56.82 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 111.952 -2.386 . . . . 0.0 110.626 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -90.38 -30.82 17.16 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 114.327 -1.306 . . . . 0.0 109.775 159.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.299 2.7 pt? -140.48 145.21 36.63 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-N 113.797 -1.547 . . . . 0.0 111.334 176.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 HD12 HG21 ' A' ' 86' ' ' ILE . 96.7 mt -124.12 127.58 73.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 111.263 -2.699 . . . . 0.0 106.136 177.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 17.2 t -115.02 140.65 48.88 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.814 -1.994 . . . . 0.0 109.706 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.75 121.8 48.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 111.08 -2.782 . . . . 0.0 107.598 -177.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.76 113.17 25.16 Favored 'General case' 0 C--N 1.351 0.664 0 O-C-N 125.125 1.515 . . . . 0.0 107.378 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -100.81 155.68 17.79 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.613 1.197 . . . . 0.0 110.214 -173.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.1 -85.99 0.03 OUTLIER 'General case' 0 C--N 1.351 0.664 0 CA-C-N 111.298 -2.683 . . . . 0.0 110.705 -170.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 0.2 OUTLIER -81.52 -140.42 0.04 OUTLIER 'General case' 0 C--N 1.358 0.96 0 N-CA-C 105.477 -2.045 . . . . 0.0 105.477 163.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.476 ' N ' ' CG ' ' A' ' 64' ' ' TYR . . . -84.84 57.86 5.0 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 119.669 -1.253 . . . . 0.0 112.287 160.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -87.86 7.79 29.06 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 123.945 0.438 . . . . 0.0 111.606 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.12 -19.07 70.52 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.433 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.34 -27.89 60.89 Favored 'General case' 0 C--N 1.357 0.898 0 C-N-CA 119.297 -0.961 . . . . 0.0 109.375 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . 0.252 47.4 mm -91.13 -45.12 14.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 112.595 -2.093 . . . . 0.0 111.007 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -78.26 -56.49 4.42 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 112.752 -2.022 . . . . 0.0 113.878 -177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.424 ' SG ' HG21 ' A' ' 11' ' ' ILE . 58.9 m -78.27 -25.99 46.95 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 112.767 -2.015 . . . . 0.0 113.941 -156.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.34 113.88 3.49 Favored 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.608 1.193 . . . . 0.0 111.614 -165.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.63 32.47 27.37 Favored Glycine 0 C--N 1.354 1.54 0 CA-C-N 112.772 -2.013 . . . . 0.0 112.181 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.4 tp -75.74 -26.04 57.08 Favored 'General case' 0 CA--C 1.511 -0.523 0 O-C-N 124.899 1.0 . . . . 0.0 112.338 157.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.7 ttp85 -73.05 -37.96 66.65 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 117.568 -1.653 . . . . 0.0 108.653 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.375 31.5 tt0 -77.49 -26.36 51.19 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 174.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.295 27.3 mmtp -76.29 -29.29 57.33 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 125.365 1.666 . . . . 0.0 112.642 165.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.62 -36.9 57.17 Favored 'General case' 0 C--O 1.219 -0.518 0 O-C-N 125.269 1.605 . . . . 0.0 110.411 173.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.53 -43.69 96.4 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-N 110.671 -2.968 . . . . 0.0 109.953 173.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.304 24.1 mm-40 -73.12 -29.71 63.1 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 109.45 -3.523 . . . . 0.0 112.412 -177.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.88 0.15 14.21 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 113.086 -1.87 . . . . 0.0 113.197 -179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.6 39.09 30.68 Favored Glycine 0 C--N 1.352 1.472 0 N-CA-C 110.431 -1.068 . . . . 0.0 110.431 -177.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 86' ' ' ILE . 47.2 mt -140.75 54.37 1.59 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 111.561 -2.319 . . . . 0.0 107.544 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.89 116.69 29.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 113.071 -1.877 . . . . 0.0 108.79 172.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 149.37 -28.44 1.21 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 111.938 -2.392 . . . . 0.0 107.521 -166.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.508 HG21 HD12 ' A' ' 58' ' ' ILE . 1.9 mp -65.24 124.77 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 111.948 -2.126 . . . . 0.0 109.949 167.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -91.01 137.57 32.27 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 110.602 -2.999 . . . . 0.0 107.755 163.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.479 HD22 ' HB ' ' A' ' 58' ' ' ILE . 5.1 mt -109.88 134.36 52.15 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-O 123.597 1.665 . . . . 0.0 110.878 -177.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -107.81 132.72 53.11 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 109.622 -3.445 . . . . 0.0 106.006 168.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.13 123.33 33.55 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.78 152.26 20.66 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 113.423 -1.717 . . . . 0.0 114.075 -160.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.85 -143.29 16.44 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 110.593 -2.804 . . . . 0.0 109.412 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -77.92 120.82 23.32 Favored 'General case' 0 C--N 1.348 0.533 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 166.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 1.3 pt -133.22 -24.9 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 O-C-N 124.86 1.35 . . . . 0.0 111.552 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 95' ' ' VAL . 62.4 t -144.51 13.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-O 122.494 1.14 . . . . 0.0 112.539 175.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.8 t -56.05 88.65 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 111.99 -2.368 . . . . 0.0 109.796 169.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 166.79 75.63 0.03 OUTLIER Glycine 0 C--N 1.347 1.164 0 CA-C-N 113.179 -1.828 . . . . 0.0 108.893 -168.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 mptt 64.92 33.45 9.91 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 112.233 -1.983 . . . . 0.0 111.611 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.558 HE22 ' HE ' ' A' ' 107' ' ' ARG . 56.6 tt0 -177.15 147.55 0.56 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.035 -1.893 . . . . 0.0 107.738 -178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -154.59 154.39 32.95 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.814 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.564 1.9 m-90 13.25 -70.74 0.0 OUTLIER Pre-proline 0 C--N 1.35 0.611 0 C-N-CA 131.368 3.867 . . . . 0.0 119.759 175.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -48.02 -43.75 29.59 Favored 'Trans proline' 0 CA--C 1.551 1.37 0 N-CA-C 115.945 1.479 . . . . 0.0 115.945 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -80.18 -30.03 38.75 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 113.781 -1.554 . . . . 0.0 112.565 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG13 HG21 ' A' ' 95' ' ' VAL . 70.3 t -75.4 -52.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.196 -172.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -60.3 -37.29 80.08 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 113.634 -1.621 . . . . 0.0 111.346 174.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -58.95 -45.56 90.16 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.71 1.256 . . . . 0.0 111.744 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.558 ' HE ' HE22 ' A' ' 99' ' ' GLN . 46.6 ttm-85 -73.87 -53.31 10.48 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.319 1.012 . . . . 0.0 111.797 -170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -66.03 -50.23 64.92 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-N 113.628 -1.624 . . . . 0.0 111.2 -168.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -73.5 -28.7 62.06 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 111.827 -2.442 . . . . 0.0 111.854 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.24 -27.99 69.72 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 124.468 1.105 . . . . 0.0 112.171 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 10.0 mmt -68.04 -54.11 20.77 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 118.882 -1.127 . . . . 0.0 109.128 169.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.51 6.33 0.07 OUTLIER Glycine 0 CA--C 1.539 1.553 0 CA-C-N 113.032 -1.895 . . . . 0.0 113.812 174.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -57.58 136.68 56.79 Favored 'General case' 0 C--N 1.361 1.092 0 CA-C-O 121.706 0.765 . . . . 0.0 109.325 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.01 -62.02 1.72 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 113.188 -1.824 . . . . 0.0 110.485 -172.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -145.17 147.98 33.07 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.73 -1.577 . . . . 0.0 109.971 -173.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.13 115.69 46.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.843 0 CA-C-N 112.466 -2.152 . . . . 0.0 109.001 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -85.08 135.79 39.07 Favored Pre-proline 0 C--N 1.351 0.65 0 CA-C-N 113.47 -1.695 . . . . 0.0 110.015 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -55.71 179.0 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.718 0 C-N-CA 122.428 2.086 . . . . 0.0 114.917 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -62.86 115.79 3.15 Favored 'Trans proline' 0 C--N 1.361 1.221 0 C-N-CA 121.176 1.251 . . . . 0.0 113.396 172.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.09 71.68 0.89 Allowed Glycine 0 C--N 1.352 1.439 0 CA-C-N 113.637 -1.62 . . . . 0.0 112.776 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.17 137.5 40.36 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 112.659 -1.771 . . . . 0.0 111.6 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -48.9 159.3 0.57 Allowed Pre-proline 0 CA--C 1.547 0.862 0 CA-C-N 111.764 -2.471 . . . . 0.0 111.5 168.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -83.07 -14.14 8.69 Favored 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.475 1.45 . . . . 0.0 113.005 174.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -29.98 62.15 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 114.433 -1.258 . . . . 0.0 111.312 -173.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.91 -31.68 70.76 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 113.83 -1.532 . . . . 0.0 111.621 174.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.5 m -79.24 -39.98 31.78 Favored 'General case' 0 N--CA 1.437 -1.081 0 O-C-N 126.485 2.366 . . . . 0.0 108.981 -169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 72.2 mt -73.2 -34.03 43.36 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 110.773 -2.921 . . . . 0.0 109.512 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.35 65.56 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 113.428 -1.714 . . . . 0.0 111.481 176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.42 ' O ' HG23 ' A' ' 133' ' ' VAL 0.476 23.0 p30 -77.03 -29.02 55.12 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 113.291 -3.364 . . . . 0.0 115.046 176.088 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.0 ptp -72.73 -29.76 63.61 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 117.438 -1.705 . . . . 0.0 110.899 173.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -66.24 -57.16 8.17 Favored 'General case' 0 C--N 1.351 0.64 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.113 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -59.48 -45.32 92.0 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.924 -1.944 . . . . 0.0 114.555 -179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 129' ' ' ASP . 38.9 t -65.79 -46.3 89.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.274 -174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 57.5 mt -82.87 -1.76 52.92 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 114.186 -1.37 . . . . 0.0 112.11 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.27 71.61 1.07 Allowed Glycine 0 C--N 1.356 1.67 0 O-C-N 124.223 0.952 . . . . 0.0 110.807 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.0 t -143.89 165.1 14.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.592 0 CA-C-N 112.426 -1.887 . . . . 0.0 107.058 -171.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.937 179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 ptm . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 122.284 1.04 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -64.4 -44.1 92.35 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.612 -2.086 . . . . 0.0 110.254 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -109.22 165.34 11.69 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 111.898 -2.41 . . . . 0.0 106.985 170.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -95.23 109.67 21.76 Favored 'General case' 0 C--N 1.348 0.534 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 53' ' ' THR . 98.1 m -93.83 139.48 30.82 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 112.557 -2.111 . . . . 0.0 107.043 169.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.449 HG23 HG22 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -113.84 133.21 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 110.609 -2.996 . . . . 0.0 105.531 163.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.411 HG23 ' CG2' ' A' ' 5' ' ' THR . 1.0 OUTLIER -122.77 116.88 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 111.157 -2.747 . . . . 0.0 105.406 -167.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.9 pp -132.3 128.99 38.94 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.223 -2.591 . . . . 0.0 110.924 -173.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.21 145.37 15.86 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 111.137 -2.756 . . . . 0.0 109.264 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.626 HG11 ' HA ' ' A' ' 17' ' ' ALA . 14.6 t -97.92 121.0 47.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 N-CA-C 105.042 -2.207 . . . . 0.0 105.042 168.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.9 tt -96.72 121.8 47.59 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.198 -163.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 70.62 53.68 11.82 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 111.292 -2.686 . . . . 0.0 111.065 169.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -101.79 164.11 11.9 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 112.154 -2.023 . . . . 0.0 109.961 -170.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -167.65 44.05 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 112.413 -2.176 . . . . 0.0 108.589 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.0 p -163.47 -64.56 0.04 OUTLIER 'General case' 0 C--N 1.354 0.769 0 CA-C-N 113.481 -1.691 . . . . 0.0 110.632 -176.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.4 t-80 -166.37 168.7 14.73 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.58 -165.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.626 ' HA ' HG11 ' A' ' 10' ' ' VAL . . . -77.39 81.44 3.87 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 113.386 -1.734 . . . . 0.0 109.435 165.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -87.75 137.8 20.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 CA-C-N 112.577 -2.102 . . . . 0.0 106.938 177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.33 13.53 81.45 Favored Glycine 0 CA--C 1.542 1.742 0 CA-C-N 113.367 -1.742 . . . . 0.0 112.333 -172.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -169.71 42.0 0.03 OUTLIER 'General case' 0 C--N 1.353 0.726 0 CA-C-O 123.179 1.466 . . . . 0.0 108.474 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -79.12 -21.95 45.85 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.886 177.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.7 mm -137.28 -22.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.84 0 O-C-N 124.646 1.216 . . . . 0.0 111.089 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -60.14 -52.01 67.14 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 124.592 1.183 . . . . 0.0 111.832 -173.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -55.6 -48.75 74.36 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 113.215 -1.811 . . . . 0.0 112.921 -177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -56.22 -44.12 79.24 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 125.645 1.841 . . . . 0.0 111.576 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.7 t -75.7 -26.87 57.94 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.622 -174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.419 ' CZ ' HG21 ' A' ' 126' ' ' THR . 12.7 m-85 -67.21 -36.4 81.62 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.214 -0.994 . . . . 0.0 110.635 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -37.72 84.4 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.903 177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -68.86 -20.61 64.28 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 112.461 -2.154 . . . . 0.0 112.767 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.6 3.35 41.15 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.964 0.79 . . . . 0.0 110.522 -168.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.19 21.05 78.67 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.58 -1.645 . . . . 0.0 111.035 -172.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.08 143.7 26.13 Favored 'General case' 0 C--N 1.364 1.238 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.92 104.83 8.72 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 6' ' ' ILE . 94.2 t -124.06 108.74 21.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 CA-C-N 113.878 -1.51 . . . . 0.0 107.957 -170.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.404 HG22 HG23 ' A' ' 5' ' ' THR . 0.2 OUTLIER -98.45 110.75 26.55 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 110.446 -3.07 . . . . 0.0 106.057 174.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -89.15 104.78 17.3 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.987 -1.915 . . . . 0.0 107.788 -177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.45 -13.75 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 111.982 -2.372 . . . . 0.0 112.0 -170.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.11 170.05 23.18 Favored Glycine 0 C--N 1.357 1.741 0 CA-C-N 114.515 -1.221 . . . . 0.0 112.686 163.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.1 m -80.91 149.06 5.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-N 112.089 -2.056 . . . . 0.0 108.961 174.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.5 tp 57.82 86.26 0.08 Allowed 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.023 -1.899 . . . . 0.0 110.692 -174.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -159.27 162.93 36.15 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 109.98 -3.282 . . . . 0.0 106.971 -177.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 m -151.81 178.89 8.92 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 112.842 -1.981 . . . . 0.0 107.208 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -47.99 -28.83 2.98 Favored 'General case' 0 C--N 1.348 0.5 0 N-CA-C 116.449 2.018 . . . . 0.0 116.449 -163.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -60.92 -39.27 88.76 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 118.848 -1.141 . . . . 0.0 111.172 176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -81.09 -32.63 33.8 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.986 -1.461 . . . . 0.0 113.124 -173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.855 ' CE2' HG12 ' A' ' 60' ' ' VAL . 21.0 m-85 -74.05 -48.18 31.73 Favored 'General case' 0 C--N 1.358 0.935 0 C-N-CA 119.432 -0.907 . . . . 0.0 112.563 -175.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 HG23 ' CD1' ' A' ' 74' ' ' LEU . 5.3 pt -59.25 -32.87 49.24 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 113.242 -1.799 . . . . 0.0 111.028 169.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -68.06 -29.03 67.89 Favored 'General case' 0 C--N 1.355 0.821 0 O-C-N 125.24 1.587 . . . . 0.0 110.823 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.864 ' O ' HG22 ' A' ' 53' ' ' THR . . . -74.02 -28.84 61.63 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 115.701 -2.095 . . . . 0.0 112.135 170.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -74.51 -30.67 61.89 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.339 1.427 . . . . 0.0 113.548 173.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' A' ' 81' ' ' ALA . 33.7 mt -70.39 -36.06 64.99 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 113.527 -1.67 . . . . 0.0 108.15 178.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -77.11 -51.07 11.65 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.711 -1.586 . . . . 0.0 112.695 -178.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.023 HG21 HG21 ' A' ' 5' ' ' THR . 1.4 t -84.05 -39.55 19.45 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 111.59 -2.55 . . . . 0.0 112.634 -165.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' N ' HG23 ' A' ' 53' ' ' THR . 29.3 mtpt 91.05 66.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.852 0 O-C-N 126.851 2.595 . . . . 0.0 110.608 -167.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -86.06 137.47 32.67 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 113.363 -1.744 . . . . 0.0 110.803 -177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.32 -24.35 20.9 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.633 -2.076 . . . . 0.0 110.485 165.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.328 2.2 pt? -140.29 145.04 36.75 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 123.417 1.579 . . . . 0.0 112.853 -175.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.637 ' HB ' HD22 ' A' ' 88' ' ' LEU . 58.9 mt -127.96 107.82 16.94 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 110.031 -3.259 . . . . 0.0 108.575 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 36.8 m -103.62 114.67 29.11 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 124.628 1.205 . . . . 0.0 111.26 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.855 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.1 m -97.72 148.18 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-O 122.113 0.958 . . . . 0.0 109.557 178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.478 ' HB2' HG13 ' A' ' 10' ' ' VAL . 0.7 OUTLIER -115.1 117.33 30.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 112.039 -2.346 . . . . 0.0 108.506 -179.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 t -100.98 164.27 11.9 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-O 122.398 1.094 . . . . 0.0 109.206 173.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mp -120.88 -24.19 5.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 111.651 -2.522 . . . . 0.0 111.096 -165.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -47.7 0.77 Allowed 'General case' 0 C--N 1.355 0.835 0 O-C-N 124.757 1.285 . . . . 0.0 109.305 176.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.11 19.3 0.03 OUTLIER Glycine 0 CA--C 1.539 1.547 0 CA-C-N 112.618 -2.083 . . . . 0.0 111.428 -162.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.463 ' H ' HE21 ' A' ' 66' ' ' GLN . 0.0 OUTLIER -85.11 16.11 3.72 Favored 'General case' 0 C--N 1.363 1.191 0 O-C-N 124.292 0.642 . . . . 0.0 110.752 167.565 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -76.18 -18.91 79.02 Favored Glycine 0 C--N 1.349 1.267 0 CA-C-N 113.36 -1.746 . . . . 0.0 109.669 162.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -77.07 -39.85 48.28 Favored 'General case' 0 C--N 1.361 1.107 0 CA-C-O 122.54 1.162 . . . . 0.0 109.552 172.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.7 mt -75.33 -32.34 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-N 111.749 -2.478 . . . . 0.0 110.44 -174.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -72.33 -35.11 68.5 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 114.102 -1.408 . . . . 0.0 110.016 176.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.7 t -51.63 -38.94 56.98 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 112.656 -2.065 . . . . 0.0 113.117 -172.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 111.86 14.41 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.37 -1.741 . . . . 0.0 110.74 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.55 10.82 78.85 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 111.837 -2.438 . . . . 0.0 115.877 153.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 47' ' ' ILE . 7.4 tp -75.78 -25.97 56.93 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 118.339 1.069 . . . . 0.0 111.186 152.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -57.83 -50.45 73.24 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.992 1.432 . . . . 0.0 109.984 166.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 27.8 mt-10 -77.6 -26.46 50.71 Favored 'General case' 0 CA--C 1.496 -1.132 0 N-CA-C 118.969 2.951 . . . . 0.0 118.969 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.285 32.5 mmtp -76.51 -29.46 56.8 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 125.137 1.523 . . . . 0.0 112.966 168.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 83' ' ' LEU . 47.4 t -77.08 -40.2 46.92 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 125.675 1.86 . . . . 0.0 109.596 174.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -64.82 -39.65 93.92 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 110.439 -3.073 . . . . 0.0 110.078 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.315 27.8 mt-10 -73.09 -29.46 62.94 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 110.384 -3.098 . . . . 0.0 112.616 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB1' HD11 ' A' ' 51' ' ' ILE . . . -73.58 -0.34 14.94 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.4 178.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.02 17.76 79.85 Favored Glycine 0 C--N 1.353 1.501 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.244 -178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 HG13 ' A' ' 51' ' ' ILE . 35.5 mt -90.79 -25.81 19.76 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 113.243 -1.479 . . . . 0.0 111.519 -173.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -31.38 114.0 0.12 Allowed 'General case' 0 C--N 1.351 0.666 0 O-C-N 125.798 1.936 . . . . 0.0 114.02 -170.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 153.35 -27.48 0.78 Allowed Glycine 0 C--N 1.344 0.994 0 CA-C-N 111.062 -2.79 . . . . 0.0 107.605 -170.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.592 HG22 HD23 ' A' ' 88' ' ' LEU . 1.3 mp -64.99 136.23 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-N 111.574 -2.313 . . . . 0.0 110.42 166.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -89.56 134.22 34.23 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 108.928 -3.76 . . . . 0.0 108.046 162.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.637 HD22 ' HB ' ' A' ' 58' ' ' ILE . 19.8 mt -109.8 137.17 47.98 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-O 123.329 1.538 . . . . 0.0 108.871 176.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -107.48 146.18 32.11 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 110.208 -3.178 . . . . 0.0 107.821 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.26 123.82 34.08 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 113.032 -1.895 . . . . 0.0 107.674 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.01 23.89 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-N 113.815 -1.539 . . . . 0.0 110.967 -171.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.4 108.24 0.24 Allowed Glycine 0 CA--C 1.536 1.351 0 CA-C-N 112.351 -1.924 . . . . 0.0 111.825 170.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 56.83 53.74 7.9 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 122.414 1.102 . . . . 0.0 110.246 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.1 pt -75.24 -55.95 10.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-N 111.866 -2.425 . . . . 0.0 112.561 -161.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 96' ' ' VAL . 9.4 p -129.08 173.08 14.4 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-O 123.853 1.787 . . . . 0.0 110.361 -163.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.543 ' H ' HG22 ' A' ' 95' ' ' VAL . 58.5 t -137.57 133.82 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-N 108.618 -3.901 . . . . 0.0 108.391 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 105.26 39.52 2.25 Favored Glycine 0 CA--C 1.532 1.112 0 CA-C-N 111.756 -2.475 . . . . 0.0 110.567 178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.55 113.89 0.03 OUTLIER 'General case' 0 C--N 1.353 0.76 0 CA-C-N 112.736 -1.732 . . . . 0.0 110.82 -176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.79 108.35 2.09 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 112.81 -1.996 . . . . 0.0 110.619 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -138.24 82.21 1.9 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.364 -2.198 . . . . 0.0 108.282 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.3 1.9 m-90 -8.36 -61.48 0.01 OUTLIER Pre-proline 0 CA--C 1.545 0.754 0 N-CA-C 119.305 3.076 . . . . 0.0 119.305 172.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 -39.24 91.07 Favored 'Trans proline' 0 C--N 1.363 1.322 0 N-CA-C 114.924 1.086 . . . . 0.0 114.924 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -79.99 -43.07 22.65 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 112.859 -1.973 . . . . 0.0 111.597 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.76 -57.95 8.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 113.89 -1.504 . . . . 0.0 110.246 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -65.46 -28.35 69.15 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 125.186 1.554 . . . . 0.0 112.528 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -57.77 -43.02 85.25 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 118.155 -1.418 . . . . 0.0 111.449 172.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -78.1 -37.91 45.28 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.937 -1.483 . . . . 0.0 112.494 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -75.04 -39.37 61.07 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.09 0.869 . . . . 0.0 111.189 -171.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -71.23 -28.63 64.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.944 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -27.93 67.94 Favored 'General case' 0 C--N 1.357 0.903 0 O-C-N 124.158 0.911 . . . . 0.0 112.073 173.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 22.8 mmt -74.87 -37.08 62.26 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 124.153 0.908 . . . . 0.0 109.584 168.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.46 -17.4 3.76 Favored Glycine 0 C--N 1.353 1.485 0 CA-C-N 112.776 -2.011 . . . . 0.0 112.406 172.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -64.17 115.8 5.35 Favored 'General case' 0 C--N 1.36 1.06 0 CA-C-O 122.004 0.907 . . . . 0.0 109.231 -177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.39 -37.39 71.57 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.745 -2.48 . . . . 0.0 111.892 -161.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -140.96 147.49 38.85 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 124.976 1.422 . . . . 0.0 110.874 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 90.4 t -123.34 113.94 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.923 0 CA-C-N 110.649 -2.978 . . . . 0.0 110.077 -173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.439 ' HB3' HG21 ' A' ' 121' ' ' THR . 29.1 m-85 -93.05 146.5 32.09 Favored Pre-proline 0 C--N 1.36 1.062 0 O-C-N 124.043 0.839 . . . . 0.0 111.371 168.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -62.81 -178.86 0.43 Allowed 'Trans proline' 0 C--N 1.367 1.528 0 C-N-CA 122.086 1.857 . . . . 0.0 114.961 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.89 120.98 6.96 Favored 'Trans proline' 0 C--N 1.364 1.347 0 C-N-CA 122.452 2.101 . . . . 0.0 111.485 162.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 71.49 66.19 2.21 Favored Glycine 0 C--N 1.35 1.355 0 CA-C-N 113.589 -1.641 . . . . 0.0 111.384 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.439 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -96.89 137.73 35.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 111.943 -2.128 . . . . 0.0 109.313 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.7 149.13 4.62 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 113.212 -1.813 . . . . 0.0 110.291 158.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.06 -9.91 10.47 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 121.043 1.162 . . . . 0.0 113.497 173.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.28 -29.71 68.56 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -70.93 -36.66 72.73 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 113.38 -1.737 . . . . 0.0 112.382 177.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.419 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.41 -32.78 42.99 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 126.285 2.24 . . . . 0.0 109.194 -173.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.406 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.3 mt -75.15 -39.76 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 111.728 -2.487 . . . . 0.0 110.414 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.25 -31.62 64.22 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 113.513 -1.676 . . . . 0.0 110.348 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.3 t0 -63.99 -55.18 24.24 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 116.447 -2.101 . . . . 0.0 112.732 172.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.406 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.5 ptp -65.32 -33.09 75.15 Favored 'General case' 0 C--N 1.359 1.012 0 O-C-N 123.986 0.804 . . . . 0.0 112.305 -173.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -70.93 -56.73 5.59 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 113.373 -1.74 . . . . 0.0 109.769 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.05 -37.35 82.33 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.94 -38.52 36.14 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.878 -174.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 80.5 mt -89.09 -4.33 58.37 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.495 1.122 . . . . 0.0 111.876 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.33 79.15 0.36 Allowed Glycine 0 C--N 1.353 1.52 0 O-C-N 124.297 0.998 . . . . 0.0 111.233 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.82 155.85 8.45 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.926 -1.637 . . . . 0.0 107.661 -173.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 CA--C 1.543 0.684 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.563 -179.213 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 121.511 0.672 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.37 131.06 37.87 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.184 -1.825 . . . . 0.0 109.831 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.04 165.26 26.11 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.532 -2.122 . . . . 0.0 108.262 -178.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.59 109.82 22.5 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-N 112.237 -2.256 . . . . 0.0 106.659 168.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 53' ' ' THR . 94.5 m -92.74 130.54 38.33 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 112.498 -2.137 . . . . 0.0 107.801 170.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.85 131.78 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.604 0 CA-C-N 110.313 -3.13 . . . . 0.0 104.87 160.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.26 1.2 t -117.36 136.01 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 CA-C-N 109.832 -3.349 . . . . 0.0 103.618 -172.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.56 129.16 38.66 Favored 'General case' 0 C--N 1.356 0.872 0 C-N-CA 115.603 -2.439 . . . . 0.0 108.771 167.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.05 145.84 16.07 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 111.863 -2.426 . . . . 0.0 110.824 173.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.8 t -97.43 120.63 47.02 Favored 'Isoleucine or valine' 0 C--N 1.348 0.522 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 174.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 tt -96.82 144.24 10.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.96 0 CA-C-N 111.364 -2.653 . . . . 0.0 112.13 -160.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.39 -26.09 6.44 Favored Glycine 0 C--N 1.352 1.449 0 CA-C-N 111.35 -2.659 . . . . 0.0 111.246 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t 64.37 154.1 0.06 Allowed 'General case' 0 C--N 1.355 0.806 0 CA-C-N 113.33 -1.435 . . . . 0.0 110.568 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 58.23 68.16 0.86 Allowed 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.042 -1.89 . . . . 0.0 110.504 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 11.9 t -146.63 -162.16 1.47 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.518 -2.128 . . . . 0.0 108.007 -173.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 p80 -160.78 149.51 16.57 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 114.271 -1.331 . . . . 0.0 108.079 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -87.9 70.56 9.5 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.472 -1.695 . . . . 0.0 111.237 -173.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -87.74 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.018 -1.901 . . . . 0.0 108.123 169.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.72 -54.89 3.77 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 114.088 -1.415 . . . . 0.0 110.379 -176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -61.68 -88.77 0.01 OUTLIER 'General case' 0 C--N 1.354 0.786 0 CA-C-N 112.835 -1.683 . . . . 0.0 109.072 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? 66.4 -97.82 0.05 OUTLIER 'General case' 0 C--N 1.353 0.736 0 O-C-N 125.033 1.458 . . . . 0.0 110.516 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.96 54.3 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 123.278 1.513 . . . . 0.0 109.652 169.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -73.01 -25.44 60.97 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 110.786 -2.915 . . . . 0.0 108.816 147.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -50.87 -48.64 60.17 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 113.989 -1.459 . . . . 0.0 110.208 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -46.99 -43.01 18.95 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 125.918 2.011 . . . . 0.0 113.254 178.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -67.27 -37.65 83.79 Favored 'General case' 0 C--N 1.352 0.691 0 O-C-N 124.79 1.307 . . . . 0.0 112.034 -175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -76.0 -35.63 59.5 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 113.017 -1.902 . . . . 0.0 110.831 -177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -40.44 79.58 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 122.4 1.095 . . . . 0.0 109.436 178.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -61.26 -20.48 62.9 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 111.561 -2.563 . . . . 0.0 112.774 172.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.9 4.8 21.09 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 123.753 0.658 . . . . 0.0 110.677 -172.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 80.21 17.26 74.56 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.056 -176.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -92.56 156.16 17.31 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 117.294 -1.762 . . . . 0.0 108.9 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -77.84 104.98 8.72 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 104.32 -2.474 . . . . 0.0 104.32 162.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.54 108.7 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 CA-C-N 113.207 -1.815 . . . . 0.0 107.684 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 5' ' ' THR . 0.1 OUTLIER -100.71 117.36 45.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.466 0 CA-C-N 110.401 -3.09 . . . . 0.0 106.9 179.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -85.83 100.97 12.42 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.744 -2.025 . . . . 0.0 106.683 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.48 -41.0 80.45 Favored 'Isoleucine or valine' 0 C--N 1.349 0.561 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.389 -167.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 132.96 156.07 8.02 Favored Glycine 0 C--N 1.352 1.469 0 CA-C-N 113.049 -1.887 . . . . 0.0 111.184 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 t -80.9 170.13 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 110.69 -2.755 . . . . 0.0 105.514 159.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.3 tp 83.96 38.02 0.03 OUTLIER 'General case' 0 C--N 1.352 0.675 0 O-C-N 124.328 1.018 . . . . 0.0 110.719 172.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.75 -179.16 4.15 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.423 -1.717 . . . . 0.0 108.704 -170.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 m -153.38 -170.04 3.49 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.975 -1.466 . . . . 0.0 109.718 -175.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.761 ' HB2' HD13 ' A' ' 74' ' ' LEU . 9.3 pt20 -48.01 -45.22 31.61 Favored 'General case' 0 C--N 1.348 0.537 0 N-CA-C 115.925 1.824 . . . . 0.0 115.925 -166.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -70.01 -24.95 63.37 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 124.433 1.083 . . . . 0.0 111.905 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -79.88 -31.4 40.31 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 114.188 -1.369 . . . . 0.0 111.659 176.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.58 -37.44 56.5 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.639 1.685 . . . . 0.0 112.166 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.89 -36.25 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.115 -3.675 . . . . 0.0 112.981 158.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -70.76 -28.83 64.98 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.083 0.864 . . . . 0.0 111.282 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.778 ' O ' HG22 ' A' ' 53' ' ' THR . . . -70.89 -28.67 64.71 Favored 'General case' 0 C--O 1.207 -1.14 0 CA-C-O 116.527 -1.702 . . . . 0.0 111.596 164.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.88 -30.55 65.52 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.595 -1.242 . . . . 0.0 113.879 168.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.5 mt -68.28 -36.94 77.12 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 172.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -72.12 -50.74 25.53 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.384 -1.734 . . . . 0.0 111.771 -172.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.056 HG21 HG21 ' A' ' 5' ' ' THR . 0.6 OUTLIER -89.26 -36.06 15.81 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 110.295 -3.139 . . . . 0.0 111.468 -167.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 53' ' ' THR . 63.1 mttm 80.79 79.84 0.04 OUTLIER 'General case' 0 C--N 1.355 0.834 0 CA-C-N 111.942 -2.39 . . . . 0.0 109.794 -166.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.26 139.35 49.98 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-N 112.477 -2.147 . . . . 0.0 111.886 -175.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -90.36 -34.22 15.76 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 112.894 -1.957 . . . . 0.0 109.567 156.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.317 2.6 pt? -140.31 144.97 36.64 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 123.317 1.532 . . . . 0.0 112.916 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 44.2 mt -123.35 126.75 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 110.349 -3.114 . . . . 0.0 106.843 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 13.4 t -115.05 141.07 48.5 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 112.946 -1.934 . . . . 0.0 109.065 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.78 121.86 60.81 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 CA-C-N 111.021 -2.809 . . . . 0.0 106.409 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.11 112.82 24.89 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-N 112.877 -1.965 . . . . 0.0 107.424 -178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.09 120.92 41.44 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 113.339 -1.755 . . . . 0.0 108.659 -171.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.0 mt -135.34 42.11 2.74 Favored 'General case' 0 C--N 1.347 0.495 0 CA-C-N 112.416 -2.175 . . . . 0.0 109.112 -167.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -158.8 2.53 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.656 -2.066 . . . . 0.0 112.767 -171.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.77 37.14 92.0 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 124.136 0.897 . . . . 0.0 113.328 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -144.63 35.4 1.16 Allowed 'General case' 0 C--N 1.348 0.542 0 CA-C-N 113.554 -1.323 . . . . 0.0 108.499 172.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -71.69 -40.85 58.0 Favored Glycine 0 C--N 1.348 1.221 0 CA-C-N 112.597 -2.092 . . . . 0.0 110.902 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -65.35 -27.93 68.93 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 125.023 1.072 . . . . 0.0 111.87 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.96 -44.61 92.31 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 O-C-N 124.753 1.283 . . . . 0.0 110.696 -173.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.87 -56.34 4.58 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.584 1.178 . . . . 0.0 111.853 173.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 71.2 m -56.75 -25.66 55.51 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 112.685 -2.052 . . . . 0.0 113.655 -164.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.43 112.0 0.91 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.695 1.247 . . . . 0.0 111.224 172.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.9 32.88 56.35 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.847 -1.979 . . . . 0.0 112.474 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.761 HD13 ' HB2' ' A' ' 43' ' ' GLN . 37.7 tp -75.75 -26.23 57.24 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.432 0.724 . . . . 0.0 111.076 153.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -63.98 -45.24 89.96 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 118.693 -1.203 . . . . 0.0 109.368 169.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.326 27.9 mt-10 -77.49 -26.29 51.16 Favored 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 118.031 2.604 . . . . 0.0 118.031 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.47 -29.61 56.96 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 125.563 1.79 . . . . 0.0 111.894 167.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 35.8 t -77.34 -35.16 54.96 Favored 'General case' 0 CA--C 1.512 -0.505 0 CA-C-O 123.537 1.637 . . . . 0.0 110.858 175.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.62 -43.37 84.93 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 109.942 -3.299 . . . . 0.0 109.789 172.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.314 25.4 mm-40 -73.24 -29.77 63.0 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 109.898 -3.319 . . . . 0.0 112.845 -177.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.83 0.54 12.89 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 113.247 -1.797 . . . . 0.0 112.832 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 38.77 34.67 Favored Glycine 0 C--N 1.354 1.528 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -141.23 47.15 1.71 Allowed 'General case' 0 C--N 1.347 0.5 0 CA-C-N 111.735 -2.233 . . . . 0.0 108.566 -174.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.93 116.63 22.88 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 109.329 172.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.88 -28.83 0.92 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-N 112.311 -2.222 . . . . 0.0 107.944 -170.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.97 124.87 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 CA-C-N 111.528 -2.336 . . . . 0.0 110.222 168.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -89.28 150.45 22.6 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 109.865 -3.334 . . . . 0.0 108.039 158.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.547 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 22.5 mt -125.82 137.72 53.79 Favored 'General case' 0 C--N 1.35 0.621 0 CA-C-O 122.675 1.226 . . . . 0.0 111.286 -170.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 -107.81 132.51 53.34 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 110.785 -2.916 . . . . 0.0 106.532 170.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.02 123.6 34.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 CA-C-N 114.358 -1.292 . . . . 0.0 108.487 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -143.97 152.16 24.0 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 112.951 -1.931 . . . . 0.0 113.407 -168.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.8 -146.38 16.3 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 110.743 -2.729 . . . . 0.0 108.589 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.91 -48.9 51.09 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 119.271 -0.972 . . . . 0.0 109.266 175.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 46.5 pt 49.39 35.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.542 0 CA-C-N 111.103 -2.772 . . . . 0.0 112.892 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 99.0 t -147.94 163.5 6.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.483 0 CA-C-N 112.082 -2.326 . . . . 0.0 105.588 176.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.8 p -92.08 50.8 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 112.207 -2.269 . . . . 0.0 109.744 176.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 171.08 -110.77 0.37 Allowed Glycine 0 C--N 1.349 1.284 0 CA-C-N 112.514 -2.13 . . . . 0.0 108.862 -174.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.05 41.98 0.01 OUTLIER 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.305 -1.448 . . . . 0.0 110.395 178.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -62.92 137.98 58.42 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 113.87 -1.513 . . . . 0.0 109.95 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -103.84 54.08 0.74 Allowed 'General case' 0 C--N 1.35 0.607 0 CA-C-N 112.889 -1.96 . . . . 0.0 111.391 -162.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.44 1.3 m-90 85.75 -5.11 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.321 0 N-CA-C 121.661 3.948 . . . . 0.0 121.661 164.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -79.8 -52.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.373 1.847 0 CA-C-N 123.246 2.195 . . . . 0.0 112.22 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -80.24 -29.92 38.46 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.94 -177.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 t -63.97 -49.1 83.14 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.205 -174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -66.58 -33.76 76.38 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 113.279 -1.782 . . . . 0.0 111.606 177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -61.54 -37.14 82.7 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.333 1.02 . . . . 0.0 111.853 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -74.33 -53.22 10.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 114.718 -1.128 . . . . 0.0 110.944 -175.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.73 -55.01 12.74 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 113.413 -1.722 . . . . 0.0 111.275 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -64.66 -30.28 71.29 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.344 -1.753 . . . . 0.0 113.119 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.1 -42.1 94.33 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 119.167 -1.013 . . . . 0.0 111.824 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 21.2 ptm -74.2 -21.65 59.72 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 118.699 -1.2 . . . . 0.0 111.976 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.28 -2.72 2.35 Favored Glycine 0 C--N 1.358 1.765 0 O-C-N 124.485 1.115 . . . . 0.0 114.975 162.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -54.8 134.55 47.9 Favored 'General case' 0 C--N 1.358 0.976 0 CA-C-O 121.965 0.888 . . . . 0.0 111.222 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.92 -56.54 11.22 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-N 112.458 -2.155 . . . . 0.0 110.697 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -134.99 146.6 49.22 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 113.675 -1.602 . . . . 0.0 109.093 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 43.5 t -123.07 113.78 39.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.755 0 CA-C-N 112.07 -2.332 . . . . 0.0 107.455 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -92.56 122.21 64.74 Favored Pre-proline 0 C--N 1.347 0.475 0 CA-C-N 112.67 -2.059 . . . . 0.0 112.458 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -52.8 165.35 1.19 Allowed 'Trans proline' 0 C--N 1.371 1.744 0 N-CA-C 114.936 1.091 . . . . 0.0 114.936 167.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.96 0.27 3.31 Favored 'Trans proline' 0 C--N 1.369 1.61 0 N-CA-C 119.152 2.712 . . . . 0.0 119.152 -167.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.43 75.55 0.17 Allowed Glycine 0 C--N 1.348 1.209 0 N-CA-C 110.306 -1.117 . . . . 0.0 110.306 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.08 137.33 40.5 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.023 -2.088 . . . . 0.0 110.079 -178.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -50.76 169.41 0.21 Allowed Pre-proline 0 CA--C 1.549 0.923 0 CA-C-N 111.686 -2.507 . . . . 0.0 111.387 168.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -82.76 -19.87 5.81 Favored 'Trans proline' 0 C--N 1.359 1.091 0 C-N-CA 120.906 1.071 . . . . 0.0 113.461 173.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -74.35 -29.97 61.81 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.486 -1.234 . . . . 0.0 111.273 -168.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.17 -31.77 64.44 Favored 'General case' 0 CA--C 1.501 -0.915 0 CA-C-N 113.287 -1.779 . . . . 0.0 111.847 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.24 -39.63 32.66 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 126.418 2.324 . . . . 0.0 108.943 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 85.8 mt -75.04 -32.8 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 109.601 -3.454 . . . . 0.0 108.588 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.24 65.32 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.526 177.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.433 27.9 p30 -75.64 -31.46 59.83 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 114.058 -3.057 . . . . 0.0 114.509 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 8.1 ptp -71.75 -40.15 69.54 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 118.066 -1.453 . . . . 0.0 112.545 171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -63.56 -57.07 11.3 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -59.15 -33.87 71.41 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.038 -1.437 . . . . 0.0 114.214 -176.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.2 t -69.86 -45.38 77.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-N 114.305 -1.316 . . . . 0.0 110.972 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 70.2 mt -83.55 8.42 14.19 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.375 -1.284 . . . . 0.0 113.006 -173.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.07 53.7 6.08 Favored Glycine 0 C--N 1.355 1.586 0 CA-C-O 122.214 0.897 . . . . 0.0 111.256 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -149.17 177.11 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 CA-C-N 112.09 -2.055 . . . . 0.0 106.537 -174.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.962 172.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.8 mtp . . . . . 0 CA--C 1.534 0.329 0 CA-C-O 121.963 0.887 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.15 67.85 2.62 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 112.584 -2.098 . . . . 0.0 110.387 -173.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.27 165.45 11.49 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 112.432 -2.167 . . . . 0.0 106.186 168.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -89.48 109.45 20.38 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 116.765 -1.974 . . . . 0.0 107.056 165.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 53' ' ' THR . 26.5 m -87.78 141.98 28.17 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-N 112.725 -2.034 . . . . 0.0 106.15 168.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.617 HG13 HG22 ' A' ' 34' ' ' VAL . 1.2 mt -107.27 122.4 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.466 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 159.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG12 HG23 ' A' ' 58' ' ' ILE 0.294 2.2 t -100.26 116.98 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.158 0 CA-C-N 109.379 -3.555 . . . . 0.0 101.766 175.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 pp -132.06 128.93 39.29 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 116.34 -2.144 . . . . 0.0 107.133 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.78 145.66 16.06 Favored Glycine 0 C--N 1.343 0.97 0 CA-C-N 110.932 -2.849 . . . . 0.0 108.595 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 63' ' ' LEU . 42.6 t -97.47 120.17 46.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 105.646 -1.983 . . . . 0.0 105.646 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.4 tt -96.81 130.4 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 111.968 -2.378 . . . . 0.0 107.323 -170.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.408 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . 92.88 117.85 2.56 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-N 111.989 -2.369 . . . . 0.0 108.261 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.87 103.88 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 111.242 -2.479 . . . . 0.0 112.49 -174.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -74.23 74.34 1.8 Allowed 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 111.857 -2.429 . . . . 0.0 108.781 169.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.0 t 177.18 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.35 0.621 0 CA-C-N 112.885 -1.962 . . . . 0.0 108.709 -176.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -80.3 145.68 32.0 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.211 -2.268 . . . . 0.0 110.036 -170.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.44 79.28 0.31 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 125.247 1.592 . . . . 0.0 109.711 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.8 t -127.83 89.29 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 112.975 -1.92 . . . . 0.0 106.917 171.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.85 -38.66 0.57 Allowed Glycine 0 C--N 1.346 1.126 0 CA-C-N 111.891 -2.413 . . . . 0.0 108.405 -170.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -61.7 -35.05 76.91 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-N 111.597 -2.302 . . . . 0.0 110.91 166.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.86 137.25 50.61 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 112.634 -2.075 . . . . 0.0 111.302 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.345 0.5 OUTLIER 90.64 -46.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.351 0.633 0 CA-C-N 111.173 -2.739 . . . . 0.0 109.521 -175.139 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.0 mt -73.09 -52.24 15.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 112.333 -2.212 . . . . 0.0 111.096 -164.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.81 -29.91 69.76 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.013 -1.903 . . . . 0.0 112.701 -173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -70.36 -43.11 70.82 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.805 176.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -60.37 -38.36 83.64 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.062 -1.881 . . . . 0.0 114.076 -168.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CB ' HG21 ' A' ' 34' ' ' VAL . 24.5 m-85 -73.45 -35.4 65.73 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.171 -1.377 . . . . 0.0 110.91 -173.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -35.63 80.81 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.161 -1.836 . . . . 0.0 110.068 178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -70.51 -20.63 62.82 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.228 -2.26 . . . . 0.0 112.256 174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.24 4.36 50.84 Favored 'General case' 0 C--N 1.359 0.986 0 O-C-N 124.153 0.908 . . . . 0.0 110.358 -170.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 73.39 23.95 76.16 Favored Glycine 0 C--N 1.353 1.521 0 CA-C-N 113.941 -1.481 . . . . 0.0 111.35 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -94.62 147.88 22.83 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.817 -1.92 . . . . 0.0 105.817 -179.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -77.9 111.71 14.02 Favored 'General case' 0 C--N 1.361 1.07 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.705 HG21 ' CB ' ' A' ' 27' ' ' PHE . 86.4 t -127.32 108.88 19.21 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 C-N-CA 118.054 -1.458 . . . . 0.0 109.171 -173.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.01 110.97 23.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 CA-C-N 110.787 -2.915 . . . . 0.0 107.493 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -85.96 104.42 15.57 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.99 -1.914 . . . . 0.0 107.076 170.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 pp -69.82 -19.55 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 112.831 -1.986 . . . . 0.0 111.117 -177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.08 -172.19 23.18 Favored Glycine 0 C--N 1.355 1.61 0 CA-C-N 113.682 -1.599 . . . . 0.0 110.344 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 m -80.93 118.01 27.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.651 0 CA-C-N 112.605 -1.797 . . . . 0.0 108.095 176.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 134.56 2.29 Favored 'General case' 0 C--N 1.346 0.437 0 CA-C-N 112.179 -2.282 . . . . 0.0 107.051 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.408 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 1.5 m -104.47 52.98 0.74 Allowed 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 113.503 -1.68 . . . . 0.0 111.486 -175.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.7 m -162.49 118.88 1.95 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 113.401 -1.727 . . . . 0.0 110.137 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -28.86 67.14 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.128 -1.851 . . . . 0.0 111.876 175.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -54.95 -33.15 62.07 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 124.732 1.27 . . . . 0.0 112.102 173.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -83.23 -27.08 30.19 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 113.991 -1.458 . . . . 0.0 112.311 178.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -47.1 25.5 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 122.003 0.906 . . . . 0.0 110.005 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.8 mt -49.91 -32.53 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 129.805 3.242 . . . . 0.0 112.05 158.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.88 -36.52 79.43 Favored 'General case' 0 C--N 1.354 0.788 0 C-N-CA 116.854 -1.938 . . . . 0.0 109.622 169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' O ' HG22 ' A' ' 53' ' ' THR . . . -67.89 -55.13 14.01 Favored 'General case' 0 C--N 1.361 1.094 0 CA-C-O 115.179 -2.343 . . . . 0.0 111.412 158.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.32 -30.56 70.58 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 113.026 -3.47 . . . . 0.0 116.717 -162.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -59.68 -53.16 52.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.722 167.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.58 -50.74 56.95 Favored 'General case' 0 C--N 1.352 0.707 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.029 HG21 HG21 ' A' ' 5' ' ' THR . 14.1 t -84.53 -44.14 13.86 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 113.714 -1.584 . . . . 0.0 111.704 -168.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.546 ' N ' HG23 ' A' ' 53' ' ' THR . 35.4 mttt 95.32 73.95 0.0 OUTLIER 'General case' 0 C--N 1.35 0.609 0 CA-C-N 109.918 -3.31 . . . . 0.0 109.484 -174.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.411 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -56.63 133.9 54.1 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 110.824 -2.898 . . . . 0.0 109.05 169.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -26.94 19.5 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 119.599 -0.84 . . . . 0.0 109.312 153.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.489 HD21 HG12 ' A' ' 6' ' ' ILE . 2.7 pt? -140.45 144.72 36.26 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.982 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.525 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.6 mt -120.33 129.54 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 111.185 -2.734 . . . . 0.0 108.307 176.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 51.2 t -115.19 138.27 51.11 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 111.499 -2.591 . . . . 0.0 108.969 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -126.01 121.78 60.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 111.595 -2.548 . . . . 0.0 107.132 178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -115.09 112.81 23.16 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 125.188 1.555 . . . . 0.0 109.356 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.7 p -100.89 164.06 12.01 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 112.635 -2.075 . . . . 0.0 109.152 -175.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 10' ' ' VAL . 88.7 mt -139.7 16.77 2.51 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 112.646 -2.07 . . . . 0.0 112.633 -160.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -166.95 -5.1 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -159.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.82 -4.8 67.97 Favored Glycine 0 CA--C 1.547 2.068 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.287 -175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -97.38 27.44 4.23 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 122.404 1.097 . . . . 0.0 109.265 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.432 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -76.06 -40.79 28.95 Favored Glycine 0 C--N 1.35 1.345 0 CA-C-N 113.355 -1.748 . . . . 0.0 110.272 -176.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.85 -32.19 69.2 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.601 -1.8 . . . . 0.0 112.319 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.0 mm -74.96 -44.35 44.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 113.364 -1.744 . . . . 0.0 111.479 -172.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -48.55 17.08 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 114.216 -1.356 . . . . 0.0 111.055 -176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 73.7 m -56.56 -25.56 52.59 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.317 -2.22 . . . . 0.0 113.431 -176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -49.65 112.07 0.6 Allowed 'General case' 0 CA--C 1.548 0.9 0 O-C-N 124.763 1.29 . . . . 0.0 112.164 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.55 44.03 17.46 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 112.936 -1.938 . . . . 0.0 112.398 -178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 58' ' ' ILE . 1.8 tt -75.58 -29.47 59.32 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 124.615 0.832 . . . . 0.0 110.11 154.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 -61.82 -43.46 98.8 Favored 'General case' 0 C--O 1.215 -0.735 0 C-N-CA 116.397 -2.121 . . . . 0.0 110.191 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.329 31.3 mt-10 -77.45 -26.29 51.32 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 117.716 2.487 . . . . 0.0 117.716 179.214 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.254 96.6 mttt -76.47 -29.59 56.95 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 125.193 1.558 . . . . 0.0 113.656 166.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 46.7 t -77.2 -35.26 55.84 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.388 1.566 . . . . 0.0 111.264 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -76.82 -34.0 57.93 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 110.293 -3.14 . . . . 0.0 109.358 176.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.454 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.329 0.0 OUTLIER -73.21 -29.86 63.1 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 116.492 -2.083 . . . . 0.0 112.891 176.74 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.74 0.26 13.54 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.328 -177.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.94 34.64 47.12 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -134.67 37.67 3.08 Favored 'General case' 0 C--N 1.349 0.578 0 CA-C-N 111.983 -2.109 . . . . 0.0 109.501 -173.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 116.5 18.75 Favored 'General case' 0 C--N 1.351 0.632 0 CA-C-N 113.791 -1.549 . . . . 0.0 109.842 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.77 -34.55 0.87 Allowed Glycine 0 C--N 1.346 1.115 0 CA-C-N 111.703 -2.498 . . . . 0.0 107.41 -172.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.1 mp -64.89 124.85 20.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.805 0 CA-C-N 111.624 -2.288 . . . . 0.0 110.633 169.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -90.21 148.33 23.01 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 109.8 -3.364 . . . . 0.0 108.048 171.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.525 HD22 ' HB ' ' A' ' 58' ' ' ILE . 49.0 mt -127.8 132.62 49.46 Favored 'General case' 0 C--N 1.349 0.577 0 CA-C-O 123.562 1.649 . . . . 0.0 112.043 -164.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -107.91 141.47 39.48 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 110.466 -3.061 . . . . 0.0 107.843 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -136.18 123.7 34.21 Favored 'Isoleucine or valine' 0 C--N 1.346 0.444 0 CA-C-N 112.854 -1.975 . . . . 0.0 107.432 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.49 152.17 22.33 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-N 113.205 -1.816 . . . . 0.0 111.665 -167.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.96 -130.63 10.31 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 111.611 -2.294 . . . . 0.0 109.765 171.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 31.4 m-20 -86.0 76.17 9.86 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 122.762 1.267 . . . . 0.0 109.687 -172.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.8 pt -80.77 -49.02 18.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 111.462 -2.608 . . . . 0.0 111.287 -169.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 40.2 t -143.98 6.58 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 113.435 -1.711 . . . . 0.0 111.745 -175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.0 p -52.4 129.84 12.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 CA-C-N 112.137 -2.302 . . . . 0.0 111.409 -173.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 110.87 60.16 0.48 Allowed Glycine 0 C--N 1.346 1.089 0 CA-C-N 111.29 -2.687 . . . . 0.0 107.329 -165.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? 73.76 115.28 0.06 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 111.536 -2.332 . . . . 0.0 109.23 -168.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -161.82 147.25 13.34 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.404 -1.725 . . . . 0.0 109.55 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -162.47 110.95 1.37 Allowed 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.528 176.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.427 ' H ' ' HE3' ' A' ' 101' ' ' TRP 0.391 1.7 m-90 8.19 -67.76 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.755 0 C-N-CA 129.916 3.286 . . . . 0.0 119.139 163.291 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.8 -38.62 85.45 Favored 'Trans proline' 0 C--N 1.362 1.239 0 N-CA-C 115.567 1.334 . . . . 0.0 115.567 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -80.14 -46.71 15.95 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 113.252 -1.794 . . . . 0.0 111.332 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.3 t -59.16 -59.01 4.43 Favored 'Isoleucine or valine' 0 C--N 1.351 0.644 0 CA-C-N 112.599 -2.091 . . . . 0.0 110.38 -174.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -66.39 -27.78 68.12 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 112.59 -2.095 . . . . 0.0 112.994 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -55.7 -35.53 66.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 117.656 -1.618 . . . . 0.0 112.112 172.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.67 -52.99 11.45 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 114.245 -1.343 . . . . 0.0 111.265 178.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -68.42 -32.13 71.95 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 113.958 -1.474 . . . . 0.0 113.313 -172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -81.08 -28.42 35.28 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 125.175 1.547 . . . . 0.0 111.407 -179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.62 -29.63 66.65 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 124.299 1.0 . . . . 0.0 111.566 168.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 20.9 mmt -79.28 -43.68 23.19 Favored 'General case' 0 C--N 1.357 0.914 0 O-C-N 124.499 1.124 . . . . 0.0 110.464 168.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.65 10.57 9.23 Favored Glycine 0 CA--C 1.54 1.599 0 CA-C-N 113.425 -1.716 . . . . 0.0 114.11 174.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -52.17 115.98 1.98 Allowed 'General case' 0 C--N 1.36 1.028 0 CA-C-O 121.214 0.531 . . . . 0.0 111.089 -176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -36.82 -59.55 0.68 Allowed 'General case' 0 C--N 1.354 0.779 0 O-C-N 125.877 1.986 . . . . 0.0 112.951 -174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -145.11 156.15 43.73 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 124.826 1.329 . . . . 0.0 109.968 168.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 74.1 t -111.89 113.99 45.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.83 -2.441 . . . . 0.0 108.962 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HB3' HG21 ' A' ' 121' ' ' THR . 21.2 m-85 -88.93 143.79 31.95 Favored Pre-proline 0 C--N 1.359 0.996 0 O-C-N 124.434 1.084 . . . . 0.0 111.747 173.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_endo -62.02 179.82 0.53 Allowed 'Trans proline' 0 C--N 1.37 1.668 0 C-N-CA 122.508 2.139 . . . . 0.0 114.822 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -76.74 117.66 4.58 Favored 'Trans proline' 0 C--N 1.363 1.308 0 C-N-CA 121.466 1.444 . . . . 0.0 110.643 165.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 80.33 66.94 1.6 Allowed Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.526 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.438 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.02 137.52 40.19 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.358 -1.921 . . . . 0.0 110.29 -177.272 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -48.56 157.16 0.75 Allowed Pre-proline 0 CA--C 1.548 0.888 0 CA-C-N 112.204 -2.271 . . . . 0.0 110.87 162.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.41 -13.81 8.43 Favored 'Trans proline' 0 C--N 1.354 0.858 0 C-N-CA 121.17 1.247 . . . . 0.0 112.909 171.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -72.25 -29.73 64.19 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 124.531 1.144 . . . . 0.0 111.467 -172.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -72.56 -34.43 67.49 Favored 'General case' 0 CA--C 1.505 -0.776 0 O-C-N 124.925 1.391 . . . . 0.0 112.02 177.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.71 -37.8 34.86 Favored 'General case' 0 N--CA 1.44 -0.939 0 O-C-N 126.472 2.357 . . . . 0.0 108.965 -171.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 82.9 mt -75.22 -37.12 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.83 0 CA-C-N 111.481 -2.6 . . . . 0.0 110.304 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.94 63.91 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.881 1.363 . . . . 0.0 111.033 174.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' THR . 58.9 t0 -59.75 -55.53 33.19 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 116.18 -2.208 . . . . 0.0 112.229 172.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.408 ' SD ' HD11 ' A' ' 6' ' ' ILE . 16.9 ptt? -73.24 -28.69 62.3 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 123.906 0.754 . . . . 0.0 112.315 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -59.75 -57.07 14.52 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.525 175.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.5 -57.06 14.36 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 113.682 -1.599 . . . . 0.0 113.267 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.22 -47.07 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-N 112.523 -2.126 . . . . 0.0 113.278 -173.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 50.0 mt -86.31 8.97 19.29 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 124.193 0.933 . . . . 0.0 111.841 -175.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.73 71.85 1.0 Allowed Glycine 0 C--N 1.355 1.627 0 CA-C-N 114.861 -1.063 . . . . 0.0 111.548 172.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.3 t -146.4 162.44 9.82 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 112.897 -1.652 . . . . 0.0 107.052 -172.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.869 177.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -76.74 -55.78 5.19 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.207 -1.815 . . . . 0.0 108.854 178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 165.21 14.7 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.516 -2.129 . . . . 0.0 107.536 170.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.08 115.42 28.86 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 113.011 -1.904 . . . . 0.0 107.724 172.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.417 HG21 ' HB ' ' A' ' 53' ' ' THR . 19.7 m -82.92 128.14 34.17 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 110.927 -2.851 . . . . 0.0 107.477 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 HG12 HG13 ' A' ' 34' ' ' VAL . 0.1 OUTLIER -122.99 149.15 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.17 0 N-CA-C 102.455 -3.165 . . . . 0.0 102.455 170.311 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.281 5.3 t -130.17 116.82 38.16 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.404 0 CA-C-N 108.954 -3.748 . . . . 0.0 103.245 -178.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -103.7 129.01 50.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 103.284 -2.858 . . . . 0.0 103.284 167.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.32 142.95 14.79 Favored Glycine 0 C--N 1.344 0.975 0 N-CA-C 103.835 -3.706 . . . . 0.0 103.835 167.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.7 t -98.03 120.63 47.61 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 C-N-CA 117.878 -1.529 . . . . 0.0 107.003 -178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 70' ' ' ASP . 0.5 OUTLIER -100.62 117.74 46.28 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 113.289 -1.778 . . . . 0.0 109.295 -177.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.92 25.49 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 CA-C-N 110.772 -2.922 . . . . 0.0 112.42 173.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.9 p 52.89 -155.44 0.19 Allowed 'General case' 0 C--N 1.361 1.069 0 O-C-N 124.973 1.043 . . . . 0.0 112.496 164.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.59 109.88 1.0 Allowed 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.965 169.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.4 t -159.84 -77.24 0.06 Allowed 'General case' 0 C--N 1.349 0.573 0 CA-C-N 112.914 -1.948 . . . . 0.0 108.529 -175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -163.28 -65.85 0.04 OUTLIER 'General case' 0 C--N 1.355 0.832 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 122.68 17.77 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.893 0 O-C-N 126.343 2.277 . . . . 0.0 110.337 -162.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.9 p -78.38 83.19 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.879 0 CA-C-O 122.751 1.262 . . . . 0.0 109.924 175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 158.9 -25.41 0.35 Allowed Glycine 0 CA--C 1.535 1.286 0 CA-C-N 112.475 -2.148 . . . . 0.0 110.389 -172.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -168.22 99.69 0.44 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.637 -1.282 . . . . 0.0 108.182 172.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -142.06 -32.79 0.5 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.819 173.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -98.51 -33.96 4.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.075 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -27.27 68.7 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 113.066 -1.879 . . . . 0.0 110.719 168.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -61.21 -56.19 23.49 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 113.409 -1.723 . . . . 0.0 111.486 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.2 m-70 -75.18 -37.84 61.08 Favored 'General case' 0 C--N 1.346 0.435 0 CA-C-N 112.488 -2.142 . . . . 0.0 112.001 -172.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.3 t -75.94 -26.87 57.29 Favored 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.886 1.366 . . . . 0.0 113.377 -159.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.8 m-30 -67.0 -39.45 87.11 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 118.962 -1.095 . . . . 0.0 109.855 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -35.59 81.37 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 112.429 -2.168 . . . . 0.0 110.673 177.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -71.87 -20.69 61.76 Favored 'General case' 0 C--N 1.351 0.634 0 CA-C-N 112.451 -2.159 . . . . 0.0 112.346 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.2 14.0 13.7 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.179 0.924 . . . . 0.0 110.617 -164.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.43 20.25 76.8 Favored Glycine 0 C--N 1.353 1.527 0 CA-C-N 113.517 -1.674 . . . . 0.0 111.712 -175.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.19 151.74 19.65 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.486 -1.672 . . . . 0.0 106.486 -177.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -79.41 104.64 10.16 Favored 'General case' 0 C--N 1.36 1.044 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 6' ' ' ILE . 21.0 t -127.27 123.29 61.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.714 0 O-C-N 125.079 1.487 . . . . 0.0 110.356 -172.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.465 HG21 HG21 ' A' ' 53' ' ' THR . 6.4 t -101.64 115.41 43.36 Favored 'Isoleucine or valine' 0 C--N 1.348 0.538 0 CA-C-N 111.449 -2.614 . . . . 0.0 107.883 173.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.97 97.96 10.55 Favored 'General case' 0 C--N 1.35 0.594 0 CA-C-N 112.244 -2.253 . . . . 0.0 108.238 174.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.581 HD11 ' HB2' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -68.82 -29.29 43.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-N 111.018 -2.81 . . . . 0.0 110.406 175.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 75.65 177.62 41.94 Favored Glycine 0 C--N 1.352 1.448 0 CA-C-N 114.346 -1.297 . . . . 0.0 110.783 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -81.96 139.05 18.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 113.415 -1.393 . . . . 0.0 111.021 -172.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -160.14 -49.33 0.05 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 113.617 -1.629 . . . . 0.0 110.53 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 t 69.56 87.45 0.12 Allowed 'General case' 0 C--N 1.344 0.364 0 CA-C-N 111.444 -2.617 . . . . 0.0 111.397 -165.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.0 p 179.13 128.83 0.07 Allowed 'General case' 0 C--N 1.354 0.781 0 O-C-N 125.376 1.672 . . . . 0.0 110.229 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -47.81 -33.82 7.81 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 112.236 -2.256 . . . . 0.0 112.028 172.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -56.44 -39.45 73.14 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.623 1.202 . . . . 0.0 113.264 -170.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.97 -30.58 19.92 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 124.375 1.047 . . . . 0.0 110.807 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.19 -35.69 58.98 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.728 1.252 . . . . 0.0 112.932 -172.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.4 mt -50.01 -50.19 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-N 110.931 -2.849 . . . . 0.0 110.91 155.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -63.88 -28.7 70.02 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 125.127 1.517 . . . . 0.0 113.439 -171.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.581 ' HB2' HD11 ' A' ' 37' ' ' ILE . . . -73.97 -28.75 61.63 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.595 0.559 . . . . 0.0 111.257 171.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.51 -30.36 64.42 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 116.797 -1.961 . . . . 0.0 113.228 165.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.79 -40.0 84.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.897 174.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -77.08 -50.31 13.35 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 113.553 -1.658 . . . . 0.0 111.353 -168.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 35' ' ' VAL . 12.6 p -100.32 -26.09 14.01 Favored 'General case' 0 C--N 1.347 0.48 0 O-C-N 125.756 1.91 . . . . 0.0 114.907 -173.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 86.15 74.59 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.222 0 O-C-N 125.583 1.802 . . . . 0.0 109.992 172.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.67 142.21 55.13 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 109.758 -3.383 . . . . 0.0 111.866 -176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -90.25 -27.58 19.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 112.598 -2.092 . . . . 0.0 109.533 156.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.29 2.6 pt? -140.47 145.01 36.37 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 122.913 1.339 . . . . 0.0 113.143 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' HB ' HD22 ' A' ' 88' ' ' LEU . 17.3 mt -128.93 127.03 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 CA-C-N 111.531 -2.577 . . . . 0.0 107.409 175.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -109.49 137.72 46.92 Favored 'General case' 0 C--N 1.347 0.471 0 CA-C-N 112.227 -2.261 . . . . 0.0 108.149 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -123.65 121.79 63.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 111.267 -2.697 . . . . 0.0 105.076 176.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.9 m -110.93 114.47 27.83 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 112.809 -1.996 . . . . 0.0 108.969 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -100.49 109.96 22.11 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 113.372 -1.74 . . . . 0.0 108.615 -158.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.2 mt -78.22 -34.24 49.44 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-N 110.462 -3.063 . . . . 0.0 108.057 169.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 4.1 t80 100.13 40.21 0.0 OUTLIER 'General case' 0 C--N 1.352 0.701 0 CA-C-N 110.442 -3.072 . . . . 0.0 110.418 168.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -74.26 -43.28 32.51 Favored Glycine 0 C--N 1.351 1.411 0 CA-C-N 111.441 -2.618 . . . . 0.0 108.742 157.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -155.35 65.62 0.63 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 112.677 -1.761 . . . . 0.0 109.936 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.04 -45.43 8.29 Favored Glycine 0 C--N 1.355 1.617 0 C-N-CA 116.139 -2.934 . . . . 0.0 109.844 177.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -80.11 -37.76 33.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.216 -1.492 . . . . 0.0 110.134 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -73.9 -44.51 51.23 Favored 'Isoleucine or valine' 0 C--N 1.353 0.734 0 CA-C-N 112.818 -1.992 . . . . 0.0 110.599 -166.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.426 ' CG ' HD11 ' A' ' 11' ' ' ILE . 14.1 t70 -77.43 -56.06 4.86 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 124.831 1.332 . . . . 0.0 111.554 177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -63.79 -25.76 68.32 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.577 -163.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -59.54 111.82 1.55 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.224 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.77 25.36 69.86 Favored Glycine 0 C--N 1.353 1.525 0 CA-C-N 113.734 -1.575 . . . . 0.0 113.267 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 tp -75.47 -25.72 57.62 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.892 0.995 . . . . 0.0 110.814 155.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.18 -42.23 99.34 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 118.234 -1.387 . . . . 0.0 109.524 168.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.346 12.1 tm-20 -77.61 -26.36 50.59 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 117.101 2.26 . . . . 0.0 117.101 177.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -76.28 -29.21 57.32 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 126.145 2.153 . . . . 0.0 112.415 167.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 48.8 t -77.12 -34.43 56.67 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-N 113.849 -1.523 . . . . 0.0 110.826 173.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -67.87 -39.27 83.77 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 111.213 -2.721 . . . . 0.0 110.337 170.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.423 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.0 OUTLIER -72.52 -29.91 64.01 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 111.032 -2.804 . . . . 0.0 111.591 -177.565 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 0.98 11.48 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 112.003 -2.362 . . . . 0.0 112.624 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.03 35.28 44.72 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.229 -1.148 . . . . 0.0 110.229 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.487 ' HB3' HD13 ' A' ' 86' ' ' ILE . 67.3 mt -137.2 48.24 2.07 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 111.752 -2.224 . . . . 0.0 107.92 -175.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.23 114.41 23.82 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 113.075 -1.875 . . . . 0.0 108.71 171.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 148.92 -26.11 1.29 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-N 112.12 -2.309 . . . . 0.0 108.161 -168.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.487 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -67.99 124.88 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 CA-C-N 111.919 -2.141 . . . . 0.0 109.795 165.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -87.89 139.4 30.56 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 111.161 -2.745 . . . . 0.0 107.686 160.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD22 ' HB ' ' A' ' 58' ' ' ILE . 13.8 mt -109.86 141.01 43.15 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 122.986 1.374 . . . . 0.0 111.153 -177.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -107.57 142.49 37.41 Favored 'General case' 0 C--N 1.35 0.628 0 CA-C-N 110.127 -3.215 . . . . 0.0 106.572 166.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 123.73 34.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 112.947 -1.933 . . . . 0.0 106.415 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.17 151.83 22.42 Favored Glycine 0 C--N 1.353 1.481 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.463 -170.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 111.94 -149.57 18.16 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-N 112.594 -1.803 . . . . 0.0 109.608 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -88.54 84.19 6.77 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 168.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.9 pt -85.92 -30.59 6.34 Favored 'Isoleucine or valine' 0 C--N 1.353 0.743 0 CA-C-N 112.059 -2.337 . . . . 0.0 111.571 -162.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.01 -150.61 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 159.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.0 t -59.51 128.71 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 112.78 -2.009 . . . . 0.0 109.406 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.25 151.36 7.69 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 113.03 -1.895 . . . . 0.0 112.946 -171.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt 69.33 67.47 0.26 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.166 -2.017 . . . . 0.0 109.669 -169.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 -54.94 134.76 48.77 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 111.681 -2.509 . . . . 0.0 110.881 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -125.94 88.43 2.85 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.24 -2.254 . . . . 0.0 107.835 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.26 8.6 m-90 -17.56 -56.79 0.04 OUTLIER Pre-proline 0 CA--C 1.541 0.607 0 N-CA-C 118.751 2.871 . . . . 0.0 118.751 178.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.02 -40.31 67.99 Favored 'Trans proline' 0 C--N 1.363 1.315 0 N-CA-C 115.049 1.134 . . . . 0.0 115.049 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -80.07 -42.46 23.64 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 113.501 -1.682 . . . . 0.0 111.506 177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.4 t -70.57 -59.21 3.71 Favored 'Isoleucine or valine' 0 C--N 1.353 0.727 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.087 -170.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.85 -27.86 69.08 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.54 -1.209 . . . . 0.0 113.099 176.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -56.72 -39.49 74.01 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 117.665 -1.614 . . . . 0.0 112.339 170.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.56 -53.32 8.8 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 124.387 1.054 . . . . 0.0 111.521 -175.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -75.13 -35.57 61.68 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 113.913 -1.494 . . . . 0.0 112.309 -169.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -75.82 -28.71 58.4 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.968 1.417 . . . . 0.0 111.477 178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.29 -29.72 69.01 Favored 'General case' 0 C--N 1.359 0.995 0 O-C-N 124.138 0.899 . . . . 0.0 111.671 173.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 18.4 mmt -69.24 -66.59 0.56 Allowed 'General case' 0 C--N 1.356 0.853 0 O-C-N 124.657 1.223 . . . . 0.0 109.063 164.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 144.55 44.91 0.04 OUTLIER Glycine 0 C--N 1.351 1.379 0 CA-C-N 113.418 -1.719 . . . . 0.0 111.225 173.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -81.12 146.15 30.71 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.774 -1.713 . . . . 0.0 108.259 169.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -80.27 -45.65 17.55 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.1 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -145.03 146.81 32.04 Favored 'General case' 0 C--N 1.357 0.895 0 O-C-N 124.527 1.142 . . . . 0.0 112.0 -163.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 54.9 t -123.3 113.97 39.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 CA-C-N 111.674 -2.512 . . . . 0.0 109.688 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -87.95 147.2 40.34 Favored Pre-proline 0 C--N 1.36 1.023 0 O-C-N 124.458 1.099 . . . . 0.0 111.723 168.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -58.59 179.19 0.19 Allowed 'Trans proline' 0 C--N 1.373 1.851 0 C-N-CA 122.693 2.262 . . . . 0.0 114.18 175.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -85.43 117.68 1.82 Allowed 'Trans proline' 0 C--N 1.362 1.241 0 C-N-CA 121.369 1.38 . . . . 0.0 109.304 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.81 70.17 1.33 Allowed Glycine 0 C--N 1.35 1.338 0 CA-C-N 113.356 -1.747 . . . . 0.0 110.746 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.09 137.48 40.31 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 112.023 -2.088 . . . . 0.0 109.502 -175.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.2 p -55.49 155.05 10.81 Favored Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 112.722 -2.036 . . . . 0.0 109.778 161.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -83.13 -11.13 9.95 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 120.566 0.844 . . . . 0.0 113.393 172.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.93 -29.79 70.26 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.2 OUTLIER -71.82 -35.97 70.08 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 113.336 -1.756 . . . . 0.0 112.312 177.817 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.418 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 3.1 m -79.44 -36.1 39.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 O-C-N 126.024 2.078 . . . . 0.0 108.865 -170.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.8 mt -75.13 -39.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 CA-C-N 111.382 -2.644 . . . . 0.0 110.455 -178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.33 -31.41 63.97 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 125.169 1.543 . . . . 0.0 110.956 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 57.7 t0 -65.14 -52.29 56.04 Favored 'General case' 0 CA--C 1.558 1.271 0 CA-C-N 112.871 -1.968 . . . . 0.0 112.412 173.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 12.1 ptp -66.88 -28.85 68.66 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -62.5 -57.0 12.75 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 114.451 -1.249 . . . . 0.0 109.373 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -57.15 -49.99 74.21 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 112.919 -1.946 . . . . 0.0 114.092 179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.51 -47.07 94.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 113.279 -1.782 . . . . 0.0 112.145 -175.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 63.6 mt -82.45 -4.63 57.78 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.93 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 73.9 0.93 Allowed Glycine 0 C--N 1.355 1.6 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.66 165.3 14.63 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 CA-C-N 112.299 -1.951 . . . . 0.0 107.025 -171.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 . . . . . 0 CA--C 1.541 0.621 0 CA-C-N 113.342 -1.754 . . . . 0.0 108.315 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.2 mtp . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 121.555 0.693 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -82.54 -53.83 5.65 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 113.176 -1.829 . . . . 0.0 108.783 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.7 165.23 17.6 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.281 -1.782 . . . . 0.0 108.228 176.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -100.68 109.75 21.81 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 112.635 -2.075 . . . . 0.0 106.396 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 53' ' ' THR . 24.1 m -89.48 137.21 32.52 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 125.497 1.748 . . . . 0.0 107.111 166.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.44 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.93 122.81 68.77 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.209 0 CA-C-N 110.232 -3.167 . . . . 0.0 102.665 162.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.6 t -99.8 137.29 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 109.262 -3.608 . . . . 0.0 102.097 176.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' HB3' ' SG ' ' A' ' 59' ' ' CYS . 4.1 pp -132.23 129.29 39.48 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 116.572 -2.051 . . . . 0.0 107.851 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.59 145.14 15.93 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 112.973 -1.921 . . . . 0.0 108.503 163.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.7 t -97.72 120.67 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 104.104 -2.554 . . . . 0.0 104.104 164.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.582 HG21 ' SG ' ' A' ' 71' ' ' CYS . 3.4 tt -96.77 117.76 41.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.729 0 CA-C-N 112.527 -2.124 . . . . 0.0 106.342 -169.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.85 -44.16 0.07 OUTLIER Glycine 0 C--N 1.347 1.145 0 CA-C-N 111.825 -2.443 . . . . 0.0 112.428 -171.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.444 ' HB2' ' H ' ' A' ' 41' ' ' SER . 46.8 t 59.48 30.95 20.67 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 113.538 -1.331 . . . . 0.0 111.414 -171.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -177.24 128.19 0.15 Allowed 'General case' 0 C--N 1.35 0.615 0 CA-C-N 112.291 -2.232 . . . . 0.0 106.654 -174.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.2 p 114.62 -158.46 0.0 OUTLIER 'General case' 0 C--N 1.352 0.705 0 C-N-CA 127.728 2.411 . . . . 0.0 107.477 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -156.67 44.35 0.39 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.785 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.14 63.1 1.29 Allowed 'General case' 0 C--N 1.354 0.789 0 CA-C-N 112.886 -1.961 . . . . 0.0 110.294 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.4 t -82.87 113.32 21.9 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 112.251 -2.25 . . . . 0.0 108.944 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.43 18.15 79.87 Favored Glycine 0 CA--C 1.539 1.554 0 CA-C-N 113.046 -1.888 . . . . 0.0 112.225 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -131.87 -25.7 2.04 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.626 -1.287 . . . . 0.0 110.361 -173.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.97 -24.09 58.4 Favored 'General case' 0 C--N 1.353 0.743 0 O-C-N 124.546 1.154 . . . . 0.0 111.331 -178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.5 mm -65.92 -52.28 51.16 Favored 'Isoleucine or valine' 0 C--N 1.353 0.721 0 CA-C-N 114.308 -1.314 . . . . 0.0 108.367 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.2 mt -53.29 -45.86 69.09 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 111.308 -2.678 . . . . 0.0 112.042 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -55.59 -56.05 24.88 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-N 114.165 -1.38 . . . . 0.0 111.285 -178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -59.13 -31.98 69.44 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-N 112.667 -2.06 . . . . 0.0 112.28 -174.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.9 m -72.67 -33.21 66.38 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 113.909 -1.496 . . . . 0.0 112.155 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CZ ' HG21 ' A' ' 126' ' ' THR . 7.6 m-30 -76.16 -38.21 56.96 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.671 1.232 . . . . 0.0 110.369 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.79 -34.25 77.91 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 113.019 -1.901 . . . . 0.0 110.041 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -73.97 -20.57 60.31 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 112.288 -2.233 . . . . 0.0 112.541 176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.43 -0.45 37.22 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 123.696 0.622 . . . . 0.0 111.079 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.67 20.47 73.98 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.618 -171.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.94 155.54 19.45 Favored 'General case' 0 C--N 1.364 1.222 0 C-N-CA 117.691 -1.604 . . . . 0.0 106.847 176.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -77.77 109.25 11.62 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 165.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.0 112.16 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 CA-C-N 113.518 -1.674 . . . . 0.0 108.956 -177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.83 110.57 22.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 110.747 -2.933 . . . . 0.0 104.903 174.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.79 97.77 10.97 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -80.99 -36.33 15.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-N 112.992 -1.913 . . . . 0.0 110.216 -165.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.99 -176.79 22.21 Favored Glycine 0 C--N 1.355 1.619 0 CA-C-N 114.063 -1.426 . . . . 0.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -91.24 117.87 35.39 Favored 'Isoleucine or valine' 0 C--N 1.355 0.845 0 CA-C-N 113.147 -1.526 . . . . 0.0 109.931 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.19 100.48 0.1 Allowed 'General case' 0 C--N 1.356 0.861 0 CA-C-N 113.708 -1.587 . . . . 0.0 108.111 175.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.444 ' H ' ' HB2' ' A' ' 13' ' ' SER . 8.8 t -53.79 108.48 0.36 Allowed 'General case' 0 C--N 1.36 1.029 0 O-C-N 124.768 1.292 . . . . 0.0 113.029 -172.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 168.96 108.23 0.01 OUTLIER 'General case' 0 C--N 1.353 0.725 0 O-C-N 125.475 1.734 . . . . 0.0 109.577 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -47.97 -51.61 23.01 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 112.802 -1.999 . . . . 0.0 111.625 160.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.26 -29.47 61.14 Favored 'General case' 0 CA--C 1.55 0.948 0 O-C-N 124.97 1.419 . . . . 0.0 112.784 -174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -73.18 -42.6 62.55 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 114.056 -1.429 . . . . 0.0 111.406 178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -76.36 -37.36 57.37 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-O 123.05 1.405 . . . . 0.0 112.846 -174.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.3 mt -49.7 -34.85 9.32 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 CA-C-N 110.418 -3.083 . . . . 0.0 112.0 161.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -70.52 -35.17 73.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 119.291 -0.963 . . . . 0.0 110.909 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.859 ' O ' HG22 ' A' ' 53' ' ' THR . . . -64.07 -28.94 70.13 Favored 'General case' 0 C--O 1.207 -1.161 0 CA-C-O 116.084 -1.912 . . . . 0.0 111.534 166.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.47 -30.6 57.37 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 119.747 1.158 . . . . 0.0 113.831 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.2 -37.06 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.014 174.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -76.56 -50.93 12.67 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.36 -1.745 . . . . 0.0 112.373 -173.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.059 HG21 HG21 ' A' ' 5' ' ' THR . 1.2 t -83.78 -38.19 21.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 111.465 -2.607 . . . . 0.0 112.037 -170.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.474 ' N ' HG23 ' A' ' 53' ' ' THR . 50.3 mttp 83.25 84.09 0.03 OUTLIER 'General case' 0 C--N 1.354 0.765 0 CA-C-N 111.174 -2.739 . . . . 0.0 109.446 -164.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -79.92 134.54 36.29 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.277 179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -90.35 -23.92 20.98 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 124.917 1.385 . . . . 0.0 110.312 159.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.316 2.7 pt? -140.46 144.97 36.35 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-O 123.116 1.436 . . . . 0.0 112.832 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.545 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 22.9 mt -128.04 118.68 49.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 110.592 -3.004 . . . . 0.0 107.111 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 8' ' ' LEU . 25.3 p -115.51 114.9 25.62 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.679 1.237 . . . . 0.0 111.434 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -99.08 121.66 49.92 Favored 'Isoleucine or valine' 0 C--N 1.346 0.439 0 CA-C-N 112.396 -2.184 . . . . 0.0 106.638 175.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.4 t -115.27 112.79 22.97 Favored 'General case' 0 C--N 1.346 0.422 0 O-C-N 124.968 1.417 . . . . 0.0 109.444 -176.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.73 152.5 20.4 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 113.148 -1.842 . . . . 0.0 108.22 -177.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt -134.19 20.39 3.73 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 125.623 1.827 . . . . 0.0 110.587 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -147.52 -177.16 5.55 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-O 122.122 0.963 . . . . 0.0 109.483 -169.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.77 36.12 3.51 Favored Glycine 0 C--N 1.35 1.314 0 CA-C-N 112.291 -2.232 . . . . 0.0 111.187 171.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -137.37 15.52 2.98 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 113.827 -1.187 . . . . 0.0 109.441 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.13 -27.36 52.97 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 113.417 -1.719 . . . . 0.0 110.62 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -74.85 -31.04 61.54 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.171 -2.015 . . . . 0.0 110.089 177.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.4 mm -91.05 -44.75 14.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-N 112.596 -2.093 . . . . 0.0 110.861 -167.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -77.64 -56.11 4.79 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.318 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.582 ' SG ' HG21 ' A' ' 11' ' ' ILE . 13.1 m -70.8 -25.92 63.09 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 125.239 1.587 . . . . 0.0 113.073 -158.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -69.4 131.12 44.29 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 114.607 -1.179 . . . . 0.0 110.282 176.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.537 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 93.68 18.75 36.89 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 112.707 -2.042 . . . . 0.0 112.338 -177.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.9 tp -75.54 -25.82 57.49 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 124.724 0.896 . . . . 0.0 111.196 157.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -58.57 -51.81 68.32 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 124.288 0.992 . . . . 0.0 109.402 172.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.44 27.5 tt0 -77.56 -26.26 50.72 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 118.554 2.798 . . . . 0.0 118.554 177.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.342 29.4 ttmt -76.14 -29.21 57.72 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 125.175 1.547 . . . . 0.0 113.097 168.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 14.5 p -77.02 -35.85 56.66 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 122.98 1.371 . . . . 0.0 109.845 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -61.44 -43.83 98.17 Favored 'General case' 0 N--CA 1.445 -0.689 0 CA-C-N 110.78 -2.918 . . . . 0.0 110.31 171.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.306 0.0 OUTLIER -73.06 -30.02 63.4 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 110.256 -3.156 . . . . 0.0 112.391 -176.409 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 1.01 11.56 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.701 -177.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.97 35.43 44.59 Favored Glycine 0 C--N 1.353 1.521 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 -177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 86' ' ' ILE . 78.9 mt -141.0 54.35 1.57 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 111.597 -2.302 . . . . 0.0 107.761 -172.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.99 115.22 27.16 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 112.521 -2.127 . . . . 0.0 108.726 172.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.92 -22.47 2.13 Favored Glycine 0 C--N 1.344 0.982 0 CA-C-N 111.916 -2.402 . . . . 0.0 108.114 -167.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.471 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -68.16 124.94 24.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 CA-C-N 111.956 -2.122 . . . . 0.0 109.359 167.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -88.92 148.86 23.6 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 111.197 -2.729 . . . . 0.0 108.049 159.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.545 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 57.1 mt -124.67 135.92 53.47 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.733 -170.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -107.73 153.24 23.24 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 112.182 -2.281 . . . . 0.0 106.887 172.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.25 123.84 34.23 Favored 'Isoleucine or valine' 0 C--N 1.354 0.79 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.26 174.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -113.72 152.1 18.14 Favored Glycine 0 C--N 1.355 1.6 0 CA-C-N 114.825 -1.08 . . . . 0.0 113.248 -168.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 95.5 -146.27 18.13 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 113.35 -1.425 . . . . 0.0 112.14 167.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -85.45 75.92 10.14 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 112.658 -1.771 . . . . 0.0 107.822 169.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -24.92 28.95 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 CA-C-N 112.359 -2.201 . . . . 0.0 111.39 -178.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG12 ' H ' ' A' ' 96' ' ' VAL . 4.1 t -105.29 169.82 2.25 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 171.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.426 ' H ' HG12 ' A' ' 95' ' ' VAL . 7.7 p -65.07 98.94 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 O-C-N 124.84 1.337 . . . . 0.0 111.13 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 56.49 47.4 83.95 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-N 112.637 -2.074 . . . . 0.0 111.815 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt 64.7 168.32 0.18 Allowed 'General case' 0 C--N 1.357 0.908 0 CA-C-N 113.335 -1.432 . . . . 0.0 111.501 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.5 tp60 -150.78 -125.5 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 113.214 -1.812 . . . . 0.0 108.442 171.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -143.58 101.23 3.74 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 124.0 0.812 . . . . 0.0 110.588 -168.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.301 3.0 m-90 -12.49 -56.17 0.03 OUTLIER Pre-proline 0 CA--C 1.542 0.646 0 N-CA-C 119.847 3.277 . . . . 0.0 119.847 171.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.62 -39.71 87.52 Favored 'Trans proline' 0 C--N 1.361 1.192 0 CA-C-N 120.562 1.237 . . . . 0.0 114.301 178.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -80.01 -38.89 31.13 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 112.197 -2.274 . . . . 0.0 111.773 178.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.0 t -78.08 -44.93 27.69 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 O-C-N 124.697 1.248 . . . . 0.0 111.75 -169.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -70.87 -27.97 64.22 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.139 173.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -61.64 -42.36 98.78 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 117.994 -1.482 . . . . 0.0 111.632 169.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -72.96 -51.51 18.12 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 113.992 -1.458 . . . . 0.0 111.849 -169.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -75.0 -32.45 61.65 Favored 'General case' 0 C--N 1.348 0.51 0 CA-C-N 113.168 -1.833 . . . . 0.0 111.289 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -78.13 -28.9 48.56 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.676 -1.147 . . . . 0.0 111.622 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.59 -28.02 67.41 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.681 1.238 . . . . 0.0 110.719 173.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.537 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -74.55 -43.14 57.15 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.277 176.28 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 167.5 -41.59 0.24 Allowed Glycine 0 C--N 1.355 1.592 0 C-N-CA 119.187 -1.482 . . . . 0.0 112.835 -177.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -49.52 146.44 4.09 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-O 122.387 1.089 . . . . 0.0 113.056 -171.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -79.32 -50.53 10.74 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 112.793 -2.003 . . . . 0.0 109.946 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -145.28 151.11 37.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.455 -1.248 . . . . 0.0 111.355 -164.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 70.0 t -123.34 122.83 66.21 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 O-C-N 125.721 1.888 . . . . 0.0 110.324 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE2' HG23 ' A' ' 126' ' ' THR . 30.3 m-85 -98.66 147.1 32.71 Favored Pre-proline 0 C--N 1.361 1.104 0 O-C-N 124.241 0.963 . . . . 0.0 111.242 165.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_endo -66.04 -176.84 0.67 Allowed 'Trans proline' 0 C--N 1.369 1.618 0 C-N-CA 122.302 2.002 . . . . 0.0 113.781 171.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -88.25 125.33 1.83 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.935 2.423 . . . . 0.0 110.635 164.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.91 48.71 6.41 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 113.394 -1.73 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.34 137.66 32.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 111.881 -2.159 . . . . 0.0 108.804 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.32 147.0 8.08 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-N 113.389 -1.732 . . . . 0.0 109.608 158.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -83.04 -13.81 8.89 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 O-C-N 122.878 0.936 . . . . 0.0 113.346 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -66.67 -29.67 69.74 Favored 'General case' 0 C--N 1.356 0.854 0 O-C-N 124.438 1.086 . . . . 0.0 110.959 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.22 -40.22 90.14 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-N 113.872 -1.513 . . . . 0.0 112.489 176.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.55 HG21 ' CZ ' ' A' ' 27' ' ' PHE . 4.9 m -79.43 -34.97 41.19 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 126.077 2.111 . . . . 0.0 109.341 -170.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -74.24 -41.78 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 CA-C-N 111.698 -2.501 . . . . 0.0 109.919 -176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.45 -31.73 63.97 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-N 113.473 -1.694 . . . . 0.0 111.09 174.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 125' ' ' THR . 64.4 t0 -64.82 -47.48 77.84 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 116.78 -1.968 . . . . 0.0 112.453 172.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 13.6 ptp -68.42 -28.89 67.48 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 120.314 -0.554 . . . . 0.0 112.43 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -62.67 -53.36 55.61 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.134 0.968 . . . . 0.0 109.722 178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -59.07 -51.71 68.89 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 112.3 -2.227 . . . . 0.0 113.938 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.95 -39.37 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.257 -174.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.9 mt -86.46 -5.49 59.15 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.442 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.22 72.34 0.99 Allowed Glycine 0 C--N 1.355 1.615 0 O-C-N 124.491 1.119 . . . . 0.0 110.755 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 8.0 t -138.43 154.16 27.09 Favored 'Isoleucine or valine' 0 C--N 1.349 0.574 0 CA-C-N 112.383 -1.908 . . . . 0.0 107.779 -171.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 . . . . . 0 CA--C 1.542 0.665 0 CA-C-N 111.669 -2.514 . . . . 0.0 109.346 -168.289 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.624 0.726 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -78.22 -66.93 0.79 Allowed 'General case' 0 C--N 1.351 0.662 0 CA-C-N 113.165 -1.834 . . . . 0.0 111.044 -174.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 165.32 11.28 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 113.506 -1.679 . . . . 0.0 109.202 -172.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -90.95 109.78 21.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 113.595 -1.639 . . . . 0.0 108.814 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.635 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.9 m -93.28 142.06 27.74 Favored 'General case' 0 C--N 1.358 0.938 0 CA-C-N 111.476 -2.602 . . . . 0.0 106.857 176.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.657 HG23 ' HB3' ' A' ' 57' ' ' LEU . 1.1 mt -124.92 149.34 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.685 0 CA-C-N 109.851 -3.34 . . . . 0.0 103.557 173.102 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.259 2.3 t -130.04 125.38 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.192 0 CA-C-N 109.097 -3.683 . . . . 0.0 103.068 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.5 129.23 52.8 Favored 'General case' 0 C--N 1.347 0.464 0 N-CA-C 105.782 -1.933 . . . . 0.0 105.782 162.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.54 145.11 15.93 Favored Glycine 0 C--N 1.342 0.889 0 CA-C-N 112.477 -2.147 . . . . 0.0 107.809 166.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 63.8 t -98.03 120.72 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 173.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.0 tt -96.85 140.85 16.6 Favored 'Isoleucine or valine' 0 C--N 1.35 0.603 0 CA-C-N 111.738 -2.483 . . . . 0.0 109.569 -169.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.42 -136.82 13.7 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 110.355 -3.111 . . . . 0.0 108.21 -174.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.6 p -176.8 21.52 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 111.882 -2.159 . . . . 0.0 110.769 -166.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -140.15 127.85 21.76 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 114.432 -1.258 . . . . 0.0 109.389 -166.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.2 t 59.72 27.35 16.6 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 112.068 -2.333 . . . . 0.0 112.438 176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 64.4 m80 50.68 -108.69 0.36 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 113.416 -1.72 . . . . 0.0 112.333 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.98 51.38 1.61 Allowed 'General case' 0 C--N 1.353 0.743 0 O-C-N 125.088 1.492 . . . . 0.0 110.089 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 74.9 t -78.27 111.48 15.15 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 112.842 -1.981 . . . . 0.0 108.421 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.68 -57.73 0.58 Allowed Glycine 0 C--N 1.352 1.447 0 CA-C-N 112.825 -1.989 . . . . 0.0 109.039 -173.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -80.22 75.81 7.0 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-N 112.24 -1.98 . . . . 0.0 108.991 171.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -152.2 -51.68 0.11 Allowed 'General case' 0 C--N 1.348 0.521 0 CA-C-N 112.922 -1.944 . . . . 0.0 107.994 -173.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -38.58 60.07 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 112.191 -2.277 . . . . 0.0 107.287 166.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mp -97.51 67.79 2.1 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 112.172 -2.285 . . . . 0.0 108.308 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -157.14 -69.82 0.1 Allowed 'General case' 0 C--N 1.345 0.402 0 CA-C-N 113.17 -1.832 . . . . 0.0 109.069 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 m80 -67.95 -16.59 64.13 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 112.705 -2.043 . . . . 0.0 111.98 -177.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.4 p -63.18 -46.83 85.27 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 113.647 -1.615 . . . . 0.0 112.977 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -72.78 -39.35 66.82 Favored 'General case' 0 C--N 1.351 0.668 0 O-C-N 125.061 1.476 . . . . 0.0 109.373 -175.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -24.77 66.99 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 111.795 -2.457 . . . . 0.0 111.779 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -114.03 25.71 10.92 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 113.962 -1.472 . . . . 0.0 110.583 177.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.5 6.04 49.57 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 114.34 -1.3 . . . . 0.0 109.55 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.89 25.64 74.4 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.767 -1.561 . . . . 0.0 111.308 -172.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.608 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -99.78 161.09 13.82 Favored 'General case' 0 C--N 1.36 1.026 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 -176.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -80.99 107.19 13.59 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 104.903 -2.258 . . . . 0.0 104.903 161.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.608 HG23 ' HB3' ' A' ' 32' ' ' PHE . 15.0 t -127.11 139.15 52.71 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 CA-C-N 114.219 -1.355 . . . . 0.0 108.027 175.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.52 110.69 25.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 111.382 -2.644 . . . . 0.0 106.728 -170.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -85.93 97.64 10.35 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.55 -1.659 . . . . 0.0 106.847 174.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.542 HD13 ' C ' ' A' ' 37' ' ' ILE . 0.0 OUTLIER -70.28 -42.15 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.452 0 CA-C-N 112.769 -2.014 . . . . 0.0 111.413 -175.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.65 129.73 1.15 Allowed Glycine 0 C--N 1.352 1.446 0 C-N-CA 116.117 -2.945 . . . . 0.0 112.412 -171.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -102.58 142.43 16.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 CA-C-N 111.746 -2.227 . . . . 0.0 106.964 165.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 tt 70.91 56.42 0.22 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 125.338 1.648 . . . . 0.0 107.78 -172.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.7 m -156.91 -169.76 3.07 Favored 'General case' 0 C--N 1.347 0.497 0 CA-C-N 111.556 -2.566 . . . . 0.0 107.504 -163.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 m -161.72 170.82 18.95 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-O 123.102 1.43 . . . . 0.0 111.683 179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.441 ' HB2' HD13 ' A' ' 74' ' ' LEU . 3.0 pt20 -51.25 -28.88 12.86 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 110.972 -2.831 . . . . 0.0 116.852 -169.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -62.49 -37.16 84.91 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 124.321 1.013 . . . . 0.0 111.497 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -84.46 -23.26 30.0 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.104 -1.862 . . . . 0.0 111.448 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' CD1' HD12 ' A' ' 37' ' ' ILE . 1.3 m-30 -76.45 -32.98 58.75 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-O 123.302 1.525 . . . . 0.0 113.037 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.474 HG13 ' SG ' ' A' ' 78' ' ' CYS . 1.3 mt -49.69 -48.06 21.15 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 109.935 -3.302 . . . . 0.0 109.685 160.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -67.94 -28.82 67.8 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 125.026 1.454 . . . . 0.0 112.945 -174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.08 -28.88 61.59 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.891 0.744 . . . . 0.0 110.983 172.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.47 -30.46 64.57 Favored 'General case' 0 C--O 1.22 -0.462 0 C-N-CA 115.198 -2.601 . . . . 0.0 112.375 168.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.6 mt -66.65 -40.4 86.09 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 118.458 -1.297 . . . . 0.0 110.025 174.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -77.04 -50.49 12.98 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.809 -1.541 . . . . 0.0 112.787 -169.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.0 p -99.13 -28.74 13.23 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 125.472 1.732 . . . . 0.0 114.022 -170.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp 93.47 63.61 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 O-C-N 126.009 2.068 . . . . 0.0 110.98 170.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -88.1 134.19 33.82 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 110.36 -3.109 . . . . 0.0 111.505 -172.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -89.72 -31.8 17.3 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 113.426 -1.715 . . . . 0.0 108.661 168.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.657 ' HB3' HG23 ' A' ' 6' ' ' ILE . 3.1 mp -91.73 136.43 33.15 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 114.133 -1.394 . . . . 0.0 111.457 169.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.65 ' HB ' HD22 ' A' ' 88' ' ' LEU . 53.5 mt -132.18 124.2 52.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-N 110.001 -3.272 . . . . 0.0 108.242 156.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 80.0 m -115.14 114.76 25.72 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.918 -1.492 . . . . 0.0 108.408 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.92 121.59 53.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 CA-C-N 112.367 -2.197 . . . . 0.0 105.687 177.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.16 112.83 23.13 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 113.012 -1.904 . . . . 0.0 108.217 -172.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 m -101.38 133.11 46.48 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.817 -1.538 . . . . 0.0 110.901 -165.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -165.51 56.96 0.11 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 113.055 -1.884 . . . . 0.0 109.896 171.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -148.13 7.34 0.8 Allowed 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 112.866 -1.97 . . . . 0.0 112.049 170.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.79 -0.47 89.5 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 115.158 -0.928 . . . . 0.0 114.571 171.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -136.57 34.39 2.71 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 122.3 1.048 . . . . 0.0 110.111 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.05 -28.17 50.62 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.389 173.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.5 -27.97 69.52 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 112.608 -1.796 . . . . 0.0 112.005 170.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.2 mt -86.38 -44.49 16.59 Favored 'Isoleucine or valine' 0 C--N 1.354 0.787 0 CA-C-N 114.045 -1.434 . . . . 0.0 110.525 -173.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.45 -56.32 4.64 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.295 -1.32 . . . . 0.0 110.99 -177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 m -59.33 -25.97 64.64 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 112.98 -1.918 . . . . 0.0 112.466 -165.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -59.22 111.73 1.46 Allowed 'General case' 0 CA--C 1.545 0.772 0 O-C-N 124.656 1.222 . . . . 0.0 111.931 -175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . . . 80.37 33.11 32.68 Favored Glycine 0 C--N 1.349 1.304 0 CA-C-N 112.143 -2.299 . . . . 0.0 111.289 179.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' ' 43' ' ' GLN . 29.7 tp -75.78 -32.38 59.89 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 125.482 1.342 . . . . 0.0 112.914 164.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.71 -47.78 83.41 Favored 'General case' 0 C--N 1.347 0.493 0 C-N-CA 118.947 -1.101 . . . . 0.0 109.106 174.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' HA ' ' HB3' ' A' ' 79' ' ' ASP 0.465 15.7 tt0 -77.44 -26.3 51.42 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 119.191 3.034 . . . . 0.0 119.191 175.48 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.309 62.1 tttp -75.99 -29.07 58.07 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 125.011 1.444 . . . . 0.0 113.064 169.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.551 ' CB ' HG21 ' A' ' 86' ' ' ILE . 87.5 m -77.32 -41.75 39.39 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 125.095 1.497 . . . . 0.0 110.751 174.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 76' ' ' GLU . 12.9 t70 -57.64 -45.91 84.85 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 110.115 -3.22 . . . . 0.0 108.463 171.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.295 35.9 mt-10 -73.05 -29.59 63.08 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 110.343 -3.117 . . . . 0.0 112.548 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.68 4.5 4.98 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.566 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.13 35.14 15.8 Favored Glycine 0 C--N 1.351 1.412 0 CA-C-N 114.711 -1.131 . . . . 0.0 111.299 171.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -100.24 -116.63 0.16 Allowed 'General case' 0 C--N 1.351 0.653 0 CA-C-N 112.795 -1.702 . . . . 0.0 107.361 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.262 6.8 mptt -108.94 -157.28 0.61 Allowed 'General case' 0 C--N 1.348 0.534 0 CA-C-O 122.97 1.367 . . . . 0.0 110.67 -175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.04 53.21 1.06 Allowed Glycine 0 N--CA 1.437 -1.297 1 N-CA-C 102.107 -4.397 . . . . 0.0 102.107 152.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.551 HG21 ' CB ' ' A' ' 78' ' ' CYS 0.308 3.7 tt -63.65 124.78 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 109.749 -3.225 . . . . 0.0 110.71 -166.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' C ' HD23 ' A' ' 88' ' ' LEU . 66.9 mttm -88.01 117.02 26.59 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 109.857 -3.338 . . . . 0.0 108.385 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.65 HD22 ' HB ' ' A' ' 58' ' ' ILE . 6.2 mt -113.5 143.33 44.7 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 111.796 -2.456 . . . . 0.0 108.205 -173.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -107.9 143.03 37.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 110.602 -2.999 . . . . 0.0 105.602 169.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.12 123.59 34.29 Favored 'Isoleucine or valine' 0 C--N 1.344 0.351 0 N-CA-C 105.839 -1.911 . . . . 0.0 105.839 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.66 152.02 23.53 Favored Glycine 0 C--N 1.349 1.3 0 C-N-CA 118.277 -1.916 . . . . 0.0 113.219 -164.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.08 90.7 0.23 Allowed Glycine 0 C--N 1.353 1.481 0 CA-C-N 110.972 -2.614 . . . . 0.0 112.38 167.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 52.52 70.51 0.56 Allowed 'General case' 0 C--N 1.355 0.828 0 O-C-N 125.376 1.28 . . . . 0.0 111.748 169.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.3 pt -103.33 -45.68 10.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.649 0 CA-C-N 113.392 -1.731 . . . . 0.0 110.015 -168.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.32 12.49 8.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 O-C-N 124.927 1.392 . . . . 0.0 113.325 172.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.5 p -38.24 124.97 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.782 0 CA-C-N 111.801 -2.454 . . . . 0.0 111.879 176.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.63 106.25 1.66 Allowed Glycine 0 C--N 1.35 1.311 0 CA-C-N 112.597 -2.092 . . . . 0.0 109.919 -174.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt 66.3 34.82 6.21 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.624 -1.788 . . . . 0.0 112.497 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -172.67 149.48 2.05 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 113.118 -1.855 . . . . 0.0 108.332 172.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -149.08 138.51 21.67 Favored 'General case' 0 C--N 1.35 0.617 0 CA-C-N 113.396 -1.729 . . . . 0.0 109.205 176.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.418 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.509 1.5 m-90 10.81 -66.7 0.0 OUTLIER Pre-proline 0 C--N 1.347 0.495 0 N-CA-C 121.109 3.744 . . . . 0.0 121.109 166.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -50.55 -31.67 32.26 Favored 'Trans proline' 0 CA--C 1.553 1.452 0 CA-C-N 120.955 1.377 . . . . 0.0 115.514 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -80.06 -45.51 18.19 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-N 112.779 -2.01 . . . . 0.0 111.575 175.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.53 -55.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 O-C-N 124.775 1.297 . . . . 0.0 110.829 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -54.28 -45.59 72.52 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.666 1.229 . . . . 0.0 112.53 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -55.54 -49.4 72.76 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 119.054 -1.058 . . . . 0.0 112.391 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.8 ttp-105 -78.06 -53.0 7.89 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 113.268 -1.787 . . . . 0.0 112.09 -168.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -63.84 -46.01 86.99 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-N 113.323 -1.762 . . . . 0.0 111.238 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -72.23 -33.43 67.55 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 113.816 -1.538 . . . . 0.0 112.066 -175.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.79 92.89 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.689 1.243 . . . . 0.0 112.273 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.41 ' HE1' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -89.6 -1.62 58.08 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.452 -1.249 . . . . 0.0 112.725 -174.787 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 176.13 -75.8 0.08 OUTLIER Glycine 0 C--N 1.354 1.533 0 C-N-CA 118.458 -1.83 . . . . 0.0 111.724 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -48.85 146.12 3.43 Favored 'General case' 0 C--N 1.356 0.884 0 CA-C-O 123.023 1.392 . . . . 0.0 113.735 -163.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -72.47 -59.09 2.9 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 111.553 -2.567 . . . . 0.0 109.316 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -145.12 154.89 42.94 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 113.838 -1.528 . . . . 0.0 109.742 -178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HE1' ' A' ' 101' ' ' TRP . 15.0 t -123.29 136.93 58.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.862 0 CA-C-N 112.847 -1.979 . . . . 0.0 108.452 171.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -94.34 116.77 66.79 Favored Pre-proline 0 C--N 1.358 0.951 0 O-C-N 124.429 1.081 . . . . 0.0 111.688 176.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -57.18 127.69 26.7 Favored 'Trans proline' 0 C--N 1.373 1.854 0 O-C-N 123.165 1.087 . . . . 0.0 112.399 164.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.3 112.87 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.403 0 C-N-CA 121.13 1.22 . . . . 0.0 111.372 -170.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 137.47 -6.14 3.56 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-N 111.947 -2.388 . . . . 0.0 111.709 -169.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 m -76.03 137.02 39.95 Favored 'General case' 0 C--N 1.358 0.937 0 CA-C-O 121.879 0.847 . . . . 0.0 109.537 -179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.2 p -69.55 162.56 66.18 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 112.397 -2.183 . . . . 0.0 109.345 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -80.81 -9.94 13.06 Favored 'Trans proline' 0 C--N 1.355 0.886 0 C-N-CA 120.708 0.939 . . . . 0.0 113.985 172.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -29.85 69.11 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 124.015 0.822 . . . . 0.0 110.399 175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -72.56 -34.65 67.65 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 113.682 -1.599 . . . . 0.0 112.601 175.61 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.4 m -79.7 -33.21 41.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 126.678 2.486 . . . . 0.0 109.023 -172.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 77.6 mt -75.15 -37.69 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 CA-C-N 112.138 -2.301 . . . . 0.0 109.785 176.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.85 64.37 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 113.947 -1.478 . . . . 0.0 110.925 174.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' THR . 45.8 t0 -61.6 -55.27 32.54 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 112.934 -1.939 . . . . 0.0 111.505 174.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.43 ' SD ' HD11 ' A' ' 6' ' ' ILE . 20.2 ptp -63.7 -39.77 95.14 Favored 'General case' 0 C--N 1.355 0.83 0 O-C-N 124.311 1.007 . . . . 0.0 111.493 -176.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -63.88 -55.34 23.46 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.471 -177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.04 -34.26 65.73 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.27 -1.332 . . . . 0.0 114.137 177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.0 t -71.63 -39.17 69.27 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.421 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 32.5 mt -91.5 7.88 39.13 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 124.07 0.856 . . . . 0.0 111.866 -169.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 82.43 52.41 3.98 Favored Glycine 0 C--N 1.354 1.541 0 C-N-CA 120.552 -0.833 . . . . 0.0 111.285 178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.57 165.11 10.83 Favored 'Isoleucine or valine' 0 C--N 1.348 0.521 0 CA-C-N 112.203 -1.998 . . . . 0.0 106.259 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 CA--C 1.548 0.902 0 O-C-N 124.596 1.185 . . . . 0.0 111.271 174.22 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 121.752 0.787 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -142.85 -20.41 0.65 Allowed 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 112.873 -1.967 . . . . 0.0 110.472 176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.86 165.33 22.23 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.955 -1.475 . . . . 0.0 108.057 -178.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -104.07 116.66 32.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 113.044 -1.889 . . . . 0.0 107.952 169.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.1 m -90.94 134.93 34.08 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 112.592 -2.095 . . . . 0.0 106.853 172.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.27 149.47 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.703 0 C-N-CA 130.318 3.447 . . . . 0.0 103.828 171.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG13 HD11 ' A' ' 37' ' ' ILE 0.272 1.6 t -124.67 143.07 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.032 0 CA-C-N 108.723 -3.853 . . . . 0.0 104.144 -175.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.488 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 2.1 pp -132.23 128.78 38.63 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 115.136 -2.625 . . . . 0.0 110.187 156.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.94 143.3 14.8 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 111.493 -2.594 . . . . 0.0 108.228 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.581 HG21 ' HB2' ' A' ' 17' ' ' ALA . 21.9 t -97.68 121.54 48.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 117.257 -1.777 . . . . 0.0 106.568 -177.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.2 tt -105.54 127.52 60.33 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 111.658 -2.519 . . . . 0.0 109.766 -169.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.35 64.33 2.66 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 112.632 -2.076 . . . . 0.0 109.199 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 52.3 p -151.73 -108.2 0.05 Allowed 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 111.23 -2.485 . . . . 0.0 109.715 -167.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' H ' HG22 ' A' ' 39' ' ' VAL . 28.3 t70 69.24 50.77 0.54 Allowed 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 113.703 -1.589 . . . . 0.0 110.872 177.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 p -167.61 -63.1 0.03 OUTLIER 'General case' 0 C--N 1.351 0.634 0 CA-C-N 113.384 -1.734 . . . . 0.0 109.636 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -162.91 125.5 2.7 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 113.363 -1.744 . . . . 0.0 107.702 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.581 ' HB2' HG21 ' A' ' 10' ' ' VAL . . . -84.63 86.81 7.27 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.24 -178.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.67 113.97 9.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 113.272 -1.785 . . . . 0.0 109.577 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.37 -63.43 0.36 Allowed Glycine 0 C--N 1.348 1.242 0 CA-C-N 112.721 -2.036 . . . . 0.0 109.193 -172.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -90.49 54.01 2.61 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.996 -1.602 . . . . 0.0 110.153 175.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -77.31 -63.15 1.44 Allowed 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.387 -1.733 . . . . 0.0 109.145 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -155.75 78.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.349 0.587 0 CA-C-N 111.998 -2.364 . . . . 0.0 109.179 -175.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.16 40.73 1.15 Allowed 'General case' 0 C--N 1.349 0.581 0 CA-C-N 112.593 -2.094 . . . . 0.0 110.387 169.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -90.27 53.06 2.38 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 112.755 -2.021 . . . . 0.0 108.65 168.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -144.44 33.2 1.18 Allowed 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 111.694 -2.503 . . . . 0.0 106.94 168.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -157.37 18.37 0.28 Allowed 'General case' 0 C--N 1.352 0.683 0 CA-C-N 112.527 -2.124 . . . . 0.0 109.832 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.19 -44.51 1.59 Allowed 'General case' 0 C--N 1.353 0.76 0 CA-C-N 113.751 -1.568 . . . . 0.0 106.965 154.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -32.54 74.07 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 112.735 -2.03 . . . . 0.0 111.017 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -76.65 11.0 1.83 Allowed 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 112.465 -2.152 . . . . 0.0 112.419 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.93 -0.46 50.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.152 170.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 71.32 30.01 67.64 Favored Glycine 0 C--N 1.354 1.536 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.059 -168.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -93.45 153.37 18.52 Favored 'General case' 0 C--N 1.362 1.128 0 C-N-CA 118.721 -1.192 . . . . 0.0 107.836 -177.421 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -78.77 104.71 9.57 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 165.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 32' ' ' PHE . 61.8 t -120.09 129.22 75.72 Favored 'Isoleucine or valine' 0 C--N 1.347 0.498 0 CA-C-N 112.908 -1.951 . . . . 0.0 107.49 -174.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.85 110.99 29.02 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 112.472 -2.149 . . . . 0.0 108.586 -165.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -86.01 117.37 24.81 Favored 'General case' 0 C--N 1.348 0.53 0 CA-C-N 112.831 -1.986 . . . . 0.0 108.648 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.572 HD11 HG13 ' A' ' 7' ' ' VAL . 7.8 mm -81.82 -37.54 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 111.25 -2.704 . . . . 0.0 110.092 -172.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.82 -171.54 15.1 Favored Glycine 0 C--N 1.351 1.387 0 CA-C-N 112.496 -2.138 . . . . 0.0 109.072 -172.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 14' ' ' ASP . 13.9 p -109.11 132.07 58.16 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 CA-C-N 112.696 -1.752 . . . . 0.0 109.009 -178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -163.97 -132.12 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.944 -1.48 . . . . 0.0 109.386 -167.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 t -179.5 76.3 0.01 OUTLIER 'General case' 0 C--N 1.345 0.386 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 160.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -167.66 104.74 0.51 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 113.262 -1.79 . . . . 0.0 109.834 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -62.4 -28.95 70.14 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 112.021 -2.354 . . . . 0.0 114.636 173.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.47 -16.94 64.15 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 125.081 1.488 . . . . 0.0 111.962 172.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -83.66 -37.5 22.72 Favored 'General case' 0 C--N 1.362 1.149 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.701 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . 0.255 0.0 OUTLIER -76.07 -27.65 57.32 Favored 'General case' 0 C--N 1.363 1.158 0 C-N-CA 118.472 -1.291 . . . . 0.0 113.306 -178.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.3 mt -55.31 -41.12 60.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 CA-C-N 111.045 -2.798 . . . . 0.0 112.391 158.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -69.4 -28.96 66.62 Favored 'General case' 0 C--N 1.355 0.838 0 O-C-N 124.083 0.864 . . . . 0.0 110.869 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.65 -28.83 62.97 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 113.948 -1.478 . . . . 0.0 110.008 167.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.486 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -69.38 -30.37 68.35 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 115.833 -2.347 . . . . 0.0 113.792 168.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.9 mt -68.18 -42.57 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 118.888 -1.125 . . . . 0.0 109.931 172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -77.05 -50.39 13.2 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 114.285 -1.325 . . . . 0.0 112.885 -168.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.8 p -93.74 -27.05 16.72 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 113.164 -1.834 . . . . 0.0 113.092 -171.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.6 mttt 100.01 44.92 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 O-C-N 126.544 2.402 . . . . 0.0 110.056 167.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -65.0 122.93 18.17 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.525 -2.58 . . . . 0.0 110.562 -174.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -82.75 -22.66 34.3 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 126.333 2.271 . . . . 0.0 109.033 169.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.276 2.4 pt? -140.45 144.88 36.33 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-O 123.367 1.556 . . . . 0.0 112.925 178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.602 HD12 ' SG ' ' A' ' 78' ' ' CYS . 33.4 mt -123.64 112.39 32.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 110.283 -3.144 . . . . 0.0 108.127 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 53.0 t -115.1 114.51 25.43 Favored 'General case' 0 C--N 1.356 0.865 0 O-C-N 125.227 1.579 . . . . 0.0 109.814 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.0 m -101.18 148.17 7.43 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.2 -177.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -103.87 112.72 25.81 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.737 -2.029 . . . . 0.0 106.754 164.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.6 p -100.98 122.11 42.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 112.634 -2.075 . . . . 0.0 107.47 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.6 mt -86.42 -28.28 23.65 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 113.11 -1.859 . . . . 0.0 109.95 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.6 t80 86.79 153.63 0.07 Allowed 'General case' 0 C--N 1.354 0.765 0 CA-C-N 112.455 -2.157 . . . . 0.0 108.553 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 122.91 -44.76 1.27 Allowed Glycine 0 C--N 1.34 0.801 0 N-CA-C 105.437 -3.065 . . . . 0.0 105.437 -151.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -157.75 54.18 0.47 Allowed 'General case' 0 C--N 1.359 1.007 0 CA-C-N 112.424 -1.888 . . . . 0.0 109.407 171.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.434 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.06 -45.56 8.2 Favored Glycine 0 C--N 1.36 1.878 0 C-N-CA 115.818 -3.086 . . . . 0.0 110.437 -177.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -80.22 -31.79 38.56 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 112.904 -1.648 . . . . 0.0 111.402 175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.8 mt -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.172 -166.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -77.08 -53.19 8.09 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.675 173.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 97.4 m -55.27 -25.85 36.42 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 124.962 1.414 . . . . 0.0 114.68 -168.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.56 111.68 1.69 Allowed 'General case' 0 CA--C 1.545 0.771 0 O-C-N 123.917 0.761 . . . . 0.0 109.544 176.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 43.55 27.41 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 113.221 -1.808 . . . . 0.0 112.0 -177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.69 -33.67 60.38 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 124.625 0.838 . . . . 0.0 110.894 158.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -60.48 -39.67 88.49 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 124.694 1.246 . . . . 0.0 109.918 167.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.277 22.6 mt-10 -77.63 -26.57 50.62 Favored 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.096 2.628 . . . . 0.0 118.096 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.283 14.1 mptt -76.37 -29.4 57.15 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 125.651 1.844 . . . . 0.0 112.729 166.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.602 ' SG ' HD12 ' A' ' 58' ' ' ILE . 94.8 m -77.05 -37.05 55.47 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 125.418 1.699 . . . . 0.0 110.923 173.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -66.77 -42.5 86.02 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 110.393 -3.094 . . . . 0.0 109.338 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.313 24.4 mm-40 -73.26 -29.79 63.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 109.787 -3.369 . . . . 0.0 113.046 -177.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.79 -2.5 23.78 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.385 -1.734 . . . . 0.0 112.878 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.92 39.13 34.04 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.1 mt -141.37 33.23 1.68 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 111.623 -2.288 . . . . 0.0 109.987 -170.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -75.6 115.09 14.91 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 114.74 -1.118 . . . . 0.0 110.145 175.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.14 -29.74 0.98 Allowed Glycine 0 C--N 1.345 1.08 0 CA-C-N 111.988 -2.369 . . . . 0.0 107.802 -172.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.9 124.94 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 111.746 -2.227 . . . . 0.0 110.814 170.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -87.85 138.53 31.37 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 109.23 -3.623 . . . . 0.0 107.598 171.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD22 ' HB ' ' A' ' 58' ' ' ILE . 22.0 mt -123.09 133.38 54.3 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-N 113.471 -1.695 . . . . 0.0 111.55 -166.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 13.1 m-30 -107.69 137.44 45.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 109.786 -3.37 . . . . 0.0 107.659 173.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.19 123.96 34.85 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.867 -1.969 . . . . 0.0 107.505 176.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.2 150.79 20.09 Favored Glycine 0 C--N 1.353 1.489 0 C-N-CA 119.415 -1.374 . . . . 0.0 113.703 -164.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 84.66 -130.51 9.84 Favored Glycine 0 C--N 1.35 1.323 0 CA-C-N 110.661 -2.77 . . . . 0.0 110.913 173.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -87.48 79.82 8.26 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 113.249 -1.476 . . . . 0.0 109.846 -175.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 27.9 pt -79.48 -35.26 16.66 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.138 -2.301 . . . . 0.0 110.939 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 90.3 t -141.1 163.89 20.91 Favored 'Isoleucine or valine' 0 C--N 1.35 0.605 0 N-CA-C 107.151 -1.425 . . . . 0.0 107.151 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.4 p -111.73 40.83 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.23 -171.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 78.97 12.58 83.99 Favored Glycine 0 CA--C 1.539 1.541 0 CA-C-N 113.112 -1.858 . . . . 0.0 113.498 177.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -73.44 83.14 1.46 Allowed 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.991 0.9 . . . . 0.0 108.665 169.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 67.16 174.21 0.26 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 112.419 -2.173 . . . . 0.0 110.27 -167.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -142.83 142.06 31.75 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.949 -1.478 . . . . 0.0 109.798 -175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.581 1.4 m-90 35.69 -74.65 0.0 OUTLIER Pre-proline 0 C--N 1.353 0.747 0 C-N-CA 130.742 3.617 . . . . 0.0 119.787 167.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.55 -37.68 34.36 Favored 'Trans proline' 0 CA--C 1.554 1.491 0 CA-C-N 120.973 1.383 . . . . 0.0 114.85 168.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.26 -45.33 18.13 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 112.482 -2.145 . . . . 0.0 112.833 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 90.8 t -75.14 -36.01 36.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.823 0 O-C-N 124.563 1.164 . . . . 0.0 111.283 -169.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.12 -34.26 63.84 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 114.505 -1.225 . . . . 0.0 111.169 173.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.4 tm0? -59.37 -37.87 79.02 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 118.504 -1.279 . . . . 0.0 111.324 171.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -73.27 -53.03 11.87 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.984 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -75.09 -43.83 50.76 Favored 'General case' 0 C--N 1.348 0.52 0 CA-C-N 113.486 -1.688 . . . . 0.0 111.458 -169.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -71.25 -28.69 64.35 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 112.829 -1.987 . . . . 0.0 111.199 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.91 71.95 Favored 'General case' 0 C--N 1.36 1.028 0 O-C-N 124.423 1.077 . . . . 0.0 112.515 169.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.7 mmt -66.72 -41.08 88.52 Favored 'General case' 0 C--N 1.36 1.038 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.939 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.88 -14.98 0.34 Allowed Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.53 -1.668 . . . . 0.0 114.141 168.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -50.98 129.73 24.2 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-O 122.512 1.149 . . . . 0.0 112.73 -170.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.42 -42.46 78.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 111.576 -2.556 . . . . 0.0 110.526 -178.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -145.25 136.7 25.17 Favored 'General case' 0 C--N 1.351 0.65 0 CA-C-N 113.008 -1.905 . . . . 0.0 108.658 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.31 113.63 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 O-C-N 124.886 1.366 . . . . 0.0 109.812 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.56 133.57 23.49 Favored Pre-proline 0 N--CA 1.481 1.118 0 O-C-N 124.546 1.154 . . . . 0.0 112.382 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -64.76 177.63 2.2 Favored 'Trans proline' 0 C--N 1.367 1.539 0 C-N-CA 121.471 1.447 . . . . 0.0 114.905 169.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -59.55 121.06 9.26 Favored 'Trans proline' 0 C--N 1.365 1.42 0 C-N-CA 122.108 1.872 . . . . 0.0 113.915 169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.11 4.81 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.449 -1.705 . . . . 0.0 112.575 172.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 m -102.13 137.1 40.85 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 112.91 -1.645 . . . . 0.0 108.239 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 p -63.19 134.88 95.98 Favored Pre-proline 0 C--N 1.354 0.789 0 CA-C-N 113.734 -1.575 . . . . 0.0 109.485 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . 0.27 9.9 Cg_endo -69.92 -9.16 25.38 Favored 'Trans proline' 0 CA--C 1.547 1.148 0 C-N-CA 121.33 1.353 . . . . 0.0 115.369 173.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.77 -29.65 70.84 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 114.974 -1.012 . . . . 0.0 113.314 164.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -65.11 -31.64 72.94 Favored 'General case' 0 CA--C 1.501 -0.935 0 O-C-N 123.96 0.788 . . . . 0.0 112.255 169.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.2 m -79.35 -30.93 42.88 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 126.242 2.214 . . . . 0.0 108.792 -173.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.42 -38.55 74.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 O-C-N 125.877 1.986 . . . . 0.0 110.109 172.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.39 -30.85 66.61 Favored 'General case' 0 C--N 1.347 0.5 0 CA-C-N 114.414 -1.266 . . . . 0.0 110.462 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 68.9 m-20 -65.14 -55.36 19.16 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 115.931 -2.308 . . . . 0.0 113.205 172.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -73.61 -28.95 62.08 Favored 'General case' 0 C--N 1.358 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 112.204 -170.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -68.36 -57.23 6.22 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.206 -1.361 . . . . 0.0 108.993 176.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -66.07 -37.18 85.16 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 114.131 -1.395 . . . . 0.0 114.017 -171.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.1 p -71.92 -39.07 66.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 114.425 -1.261 . . . . 0.0 112.442 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 71.3 mt -86.62 5.73 34.4 Favored 'General case' 0 C--N 1.358 0.95 0 O-C-N 124.153 0.908 . . . . 0.0 112.356 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.65 61.39 2.94 Favored Glycine 0 C--N 1.355 1.607 0 CA-C-O 122.113 0.84 . . . . 0.0 111.299 177.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.5 t -151.79 160.95 3.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 112.097 -2.051 . . . . 0.0 106.9 -173.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 . . . . . 0 CA--C 1.541 0.616 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.077 176.393 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 122.152 0.977 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -81.56 173.28 12.53 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.582 -2.099 . . . . 0.0 109.766 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -105.55 165.15 11.35 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-N 112.888 -1.96 . . . . 0.0 111.407 -173.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.41 110.62 21.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 109.413 -3.54 . . . . 0.0 109.002 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.422 ' CG2' HG23 ' A' ' 7' ' ' VAL . 47.2 m -82.14 115.95 21.48 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 112.678 -2.055 . . . . 0.0 107.805 170.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -105.78 137.32 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 N-CA-C 104.416 -2.439 . . . . 0.0 104.416 161.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' HA ' HG12 ' A' ' 35' ' ' VAL 0.29 1.3 t -130.13 116.76 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.941 1 CA-C-N 108.112 -4.131 . . . . 0.0 102.98 -168.023 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.483 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.7 pp -130.98 129.38 42.02 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 117.19 -1.804 . . . . 0.0 109.313 -175.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.65 145.52 16.05 Favored Glycine 0 C--N 1.353 1.528 0 O-C-N 126.574 2.421 . . . . 0.0 108.466 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -97.69 125.41 50.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 106.557 -1.645 . . . . 0.0 106.557 173.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' HB2' ' A' ' 70' ' ' ASP . 0.4 OUTLIER -96.5 117.88 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 CA-C-N 112.652 -2.067 . . . . 0.0 106.213 178.049 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.21 108.5 0.36 Allowed Glycine 0 C--N 1.347 1.166 0 CA-C-N 110.027 -3.261 . . . . 0.0 109.561 -173.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -84.18 74.35 10.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 111.807 -2.196 . . . . 0.0 108.827 -175.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 56.84 40.55 28.9 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 111.988 -2.369 . . . . 0.0 111.301 -168.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 96.0 m -101.8 -23.49 14.19 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 113.178 -1.828 . . . . 0.0 111.792 -174.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 66.8 t60 71.23 130.97 0.03 OUTLIER 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.801 1.313 . . . . 0.0 111.228 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.7 90.81 1.08 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-N 112.733 -2.03 . . . . 0.0 111.876 -176.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.2 p -104.23 122.77 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 111.89 -2.414 . . . . 0.0 107.542 169.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.85 -100.81 1.08 Allowed Glycine 0 C--N 1.351 1.365 0 CA-C-N 113.167 -1.833 . . . . 0.0 109.084 -173.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -70.53 101.9 2.11 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-N 113.62 -1.29 . . . . 0.0 109.894 177.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -168.63 -55.89 0.02 OUTLIER 'General case' 0 C--N 1.344 0.348 0 CA-C-N 112.311 -2.222 . . . . 0.0 106.873 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.9 mm -107.55 46.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.754 0 CA-C-N 111.977 -2.374 . . . . 0.0 108.052 175.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -130.48 -6.49 4.19 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 112.366 -2.197 . . . . 0.0 110.805 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.48 60.34 3.07 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.246 1.498 . . . . 0.0 108.873 -175.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -147.63 -46.85 0.17 Allowed 'General case' 0 C--N 1.345 0.376 0 CA-C-N 110.218 -3.174 . . . . 0.0 106.413 -174.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -87.04 62.72 7.52 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 111.517 -2.583 . . . . 0.0 108.579 167.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -175.97 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.344 0.369 0 CA-C-N 112.697 -2.047 . . . . 0.0 106.439 -173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -44.93 94.09 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 112.576 -2.102 . . . . 0.0 110.32 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -89.37 25.12 2.01 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 112.467 -2.152 . . . . 0.0 111.33 176.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 7.72 45.8 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.289 167.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.04 25.36 64.39 Favored Glycine 0 C--N 1.355 1.617 0 CA-C-N 113.837 -1.529 . . . . 0.0 111.609 -175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.01 149.76 27.21 Favored 'General case' 0 C--N 1.36 1.029 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -77.93 104.63 8.6 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 104.968 -2.234 . . . . 0.0 104.968 163.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.1 t -121.58 134.49 64.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 112.606 -2.088 . . . . 0.0 107.187 -175.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 7' ' ' VAL . 0.5 OUTLIER -130.81 135.69 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 CA-C-N 111.151 -2.749 . . . . 0.0 106.304 -171.077 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -104.12 106.34 16.81 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 113.072 -1.876 . . . . 0.0 106.783 171.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.483 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -68.74 -23.73 28.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.025 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.953 175.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.06 179.35 21.98 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.351 -1.75 . . . . 0.0 110.336 173.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 m -92.5 117.93 36.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 111.612 -2.294 . . . . 0.0 108.482 -174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -166.39 139.52 3.96 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 112.934 -1.939 . . . . 0.0 106.587 178.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.31 73.52 5.93 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.186 171.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -170.38 121.74 0.63 Allowed 'General case' 0 C--N 1.359 1.018 0 C-N-CA 118.053 -1.459 . . . . 0.0 114.182 173.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -47.89 -55.14 10.53 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 128.613 2.765 . . . . 0.0 114.909 164.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -64.71 -18.16 64.76 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 118.705 -1.198 . . . . 0.0 111.763 -172.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -79.42 -37.63 36.67 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 114.583 -1.19 . . . . 0.0 110.799 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.425 ' CD2' HG12 ' A' ' 60' ' ' VAL . 0.5 OUTLIER -76.29 -37.72 57.12 Favored 'General case' 0 C--N 1.358 0.944 0 CA-C-O 123.328 1.537 . . . . 0.0 112.218 -177.005 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 mt -49.67 -37.05 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.497 -3.501 . . . . 0.0 111.955 160.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -66.7 -28.81 68.74 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 124.344 1.028 . . . . 0.0 112.223 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.412 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.08 -28.26 61.3 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 167.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.54 -30.32 69.94 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 116.695 -2.002 . . . . 0.0 113.744 161.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -68.42 -42.6 84.13 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.04 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.04 -50.24 13.56 Favored 'General case' 0 CA--C 1.498 -1.028 0 O-C-N 124.322 1.014 . . . . 0.0 109.986 -171.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.6 -13.4 18.6 Favored 'General case' 0 N--CA 1.427 -1.579 0 O-C-N 126.299 2.249 . . . . 0.0 114.045 -167.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 75.95 72.63 0.08 Allowed 'General case' 0 C--N 1.345 0.411 0 O-C-N 124.955 1.409 . . . . 0.0 110.186 168.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.02 144.48 55.11 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 110.973 -2.83 . . . . 0.0 112.297 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.3 -33.0 16.28 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 112.241 -2.254 . . . . 0.0 109.264 152.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 134' ' ' LEU 0.3 2.7 pt? -140.53 144.95 36.23 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 123.037 1.398 . . . . 0.0 113.739 -179.45 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' HB ' HD22 ' A' ' 88' ' ' LEU . 49.0 mt -122.9 110.93 27.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.824 0 CA-C-N 110.624 -2.989 . . . . 0.0 106.926 176.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 44.1 t -115.31 114.71 25.53 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 113.565 -1.652 . . . . 0.0 109.284 -173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG12 ' CD2' ' A' ' 46' ' ' PHE . 4.5 m -97.86 148.26 5.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 113.362 -1.745 . . . . 0.0 109.599 -175.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.31 112.85 24.39 Favored 'General case' 0 C--N 1.348 0.542 0 CA-C-N 112.561 -2.108 . . . . 0.0 108.348 176.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.6 m -100.88 119.13 38.23 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 113.553 -1.658 . . . . 0.0 109.521 -175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.7 mt -84.52 -43.24 14.72 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 112.004 -2.362 . . . . 0.0 108.564 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . 0.259 6.0 t80 116.25 49.84 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 111.024 -2.807 . . . . 0.0 111.251 165.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -89.62 -39.23 6.32 Favored Glycine 0 CA--C 1.537 1.439 0 CA-C-N 111.761 -2.472 . . . . 0.0 108.663 156.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -149.6 70.64 1.07 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 112.387 -1.906 . . . . 0.0 108.011 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.35 -45.24 8.19 Favored Glycine 0 C--N 1.355 1.637 0 C-N-CA 116.532 -2.746 . . . . 0.0 111.181 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -79.79 -29.57 40.38 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 111.083 -2.558 . . . . 0.0 111.414 -176.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 74.4 mt -77.08 -40.46 30.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 113.438 -1.71 . . . . 0.0 109.807 -178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.57 ' HB2' HD13 ' A' ' 11' ' ' ILE . 11.3 t70 -60.6 -52.33 65.63 Favored 'General case' 0 C--N 1.352 0.701 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.34 178.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.545 ' SG ' ' CE2' ' A' ' 108' ' ' PHE . 26.0 p -71.33 -35.49 71.24 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 113.437 -1.711 . . . . 0.0 110.855 -170.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -69.26 111.92 5.5 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 114.615 -1.175 . . . . 0.0 110.085 178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 82.55 14.5 75.88 Favored Glycine 0 C--N 1.352 1.466 0 CA-C-N 112.544 -2.116 . . . . 0.0 113.424 177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 tp -75.78 -30.0 58.95 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 159.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -41.58 95.04 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 117.659 -1.616 . . . . 0.0 109.52 172.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.366 32.2 tt0 -77.69 -26.67 50.41 Favored 'General case' 0 CA--C 1.5 -0.98 0 N-CA-C 118.461 2.763 . . . . 0.0 118.461 176.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.279 60.8 mtpt -76.58 -29.57 56.65 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.981 1.426 . . . . 0.0 112.818 165.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 27.1 t -77.61 -29.18 51.76 Favored 'General case' 0 C--O 1.22 -0.479 0 O-C-N 125.253 1.596 . . . . 0.0 112.23 173.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -71.32 -45.29 63.35 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 110.688 -2.96 . . . . 0.0 109.215 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.308 24.8 mm-40 -73.11 -29.65 63.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 109.297 -3.592 . . . . 0.0 112.39 -174.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.81 0.82 12.01 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 113.161 -1.836 . . . . 0.0 112.801 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.2 33.51 Favored Glycine 0 C--N 1.353 1.477 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.3 mt -138.56 32.14 2.29 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 112.038 -2.081 . . . . 0.0 109.631 -172.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.75 113.06 11.59 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 114.595 -1.184 . . . . 0.0 109.598 174.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 155.94 -29.52 0.6 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.783 -2.462 . . . . 0.0 107.979 -169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.89 127.15 25.25 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 111.7 -2.25 . . . . 0.0 110.172 167.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.97 137.39 32.37 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 110.121 -3.218 . . . . 0.0 108.495 160.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.508 HD22 ' HB ' ' A' ' 58' ' ' ILE . 17.8 mt -109.94 136.67 48.85 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 123.063 1.411 . . . . 0.0 111.087 -176.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.75 148.32 29.62 Favored 'General case' 0 C--N 1.348 0.513 0 CA-C-N 110.754 -2.93 . . . . 0.0 107.839 167.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -136.08 127.83 44.54 Favored 'Isoleucine or valine' 0 C--N 1.351 0.647 0 CA-C-N 112.81 -1.995 . . . . 0.0 107.852 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -142.01 144.1 13.78 Favored Glycine 0 C--N 1.353 1.486 0 C-N-CA 119.359 -1.401 . . . . 0.0 112.562 -175.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 117.59 -142.52 17.3 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 112.201 -1.999 . . . . 0.0 110.728 172.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -90.75 81.3 5.8 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-N 112.832 -1.684 . . . . 0.0 107.571 172.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.9 pt -97.03 -24.59 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 CA-C-N 112.747 -2.024 . . . . 0.0 110.732 -166.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.476 HG12 ' N ' ' A' ' 96' ' ' VAL . 93.1 t -139.7 173.81 10.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.634 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 167.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.476 ' N ' HG12 ' A' ' 95' ' ' VAL . 3.4 t -54.91 152.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 112.013 -2.358 . . . . 0.0 108.913 171.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.51 -42.76 58.07 Favored Glycine 0 CA--C 1.543 1.83 0 CA-C-N 112.641 -2.072 . . . . 0.0 111.791 169.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.81 136.53 58.02 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 112.72 -1.74 . . . . 0.0 109.145 165.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 68.55 73.79 0.28 Allowed 'General case' 0 C--N 1.352 0.694 0 O-C-N 125.039 1.462 . . . . 0.0 107.692 -159.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -90.13 67.66 6.97 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 112.274 -2.239 . . . . 0.0 108.989 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.482 ' HE1' HG12 ' A' ' 116' ' ' VAL 0.347 1.7 m-90 78.37 10.77 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.311 0 N-CA-C 119.68 3.215 . . . . 0.0 119.68 172.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -82.08 -51.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.378 2.104 0 CA-C-N 122.123 1.794 . . . . 0.0 111.273 164.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -80.32 -29.98 38.1 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.854 -1.976 . . . . 0.0 112.07 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.91 -46.7 59.19 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 124.575 1.172 . . . . 0.0 110.514 -170.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -68.63 -40.67 80.19 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.117 174.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.9 tm0? -59.77 -46.2 89.92 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 124.597 1.185 . . . . 0.0 111.598 -178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -76.95 -53.02 8.38 Favored 'General case' 0 C--N 1.345 0.38 0 CA-C-N 113.634 -1.621 . . . . 0.0 110.576 -170.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 12.6 m-30 -70.4 -41.4 73.05 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 113.448 -1.705 . . . . 0.0 111.562 -168.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -77.19 -38.29 51.82 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 113.719 -1.582 . . . . 0.0 112.665 -175.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.69 -28.19 69.76 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 124.365 1.041 . . . . 0.0 112.115 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.2 mmm -71.0 -54.57 10.78 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.607 173.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 170.15 17.95 0.02 OUTLIER Glycine 0 C--N 1.356 1.644 0 C-N-CA 117.559 -2.258 . . . . 0.0 115.166 173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -81.18 145.55 30.95 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 122.801 1.286 . . . . 0.0 108.867 169.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -78.29 -57.6 3.7 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 111.583 -2.553 . . . . 0.0 109.446 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -145.26 152.89 40.66 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 125.092 1.495 . . . . 0.0 110.743 -175.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.482 HG12 ' HE1' ' A' ' 101' ' ' TRP . 38.8 t -123.29 120.2 59.61 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.031 0 CA-C-N 111.974 -2.375 . . . . 0.0 110.398 -178.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -95.6 116.96 66.68 Favored Pre-proline 0 C--N 1.358 0.957 0 O-C-N 124.504 1.127 . . . . 0.0 110.547 170.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -57.29 169.46 2.15 Favored 'Trans proline' 0 C--N 1.366 1.498 0 C-N-CA 120.92 1.08 . . . . 0.0 114.865 167.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -74.37 118.2 5.27 Favored 'Trans proline' 0 C--N 1.363 1.301 0 C-N-CA 120.889 1.059 . . . . 0.0 110.551 177.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 114.98 11.51 10.95 Favored Glycine 0 CA--C 1.536 1.362 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.489 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.7 m -81.86 137.11 35.3 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 122.42 1.105 . . . . 0.0 109.432 178.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.2 p -59.93 164.99 5.15 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 111.598 -2.546 . . . . 0.0 109.987 171.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.13 -10.91 10.03 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 121.317 1.344 . . . . 0.0 113.279 170.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -75.13 -29.84 60.64 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 124.268 0.98 . . . . 0.0 110.953 -174.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.56 -35.91 78.04 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 113.377 -1.738 . . . . 0.0 111.645 173.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.7 m -79.45 -31.34 42.49 Favored 'General case' 0 N--CA 1.44 -0.969 0 O-C-N 126.708 2.505 . . . . 0.0 109.004 -171.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 46.7 mt -74.91 -41.62 46.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 O-C-N 126.549 2.405 . . . . 0.0 110.318 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.93 63.9 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 113.512 -1.676 . . . . 0.0 110.314 177.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' HB2' ' O ' ' A' ' 125' ' ' THR . 66.2 t0 -65.93 -49.06 69.31 Favored 'General case' 0 CA--C 1.556 1.203 0 CA-C-N 112.232 -2.258 . . . . 0.0 112.677 171.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 10.6 ptp -69.19 -28.96 66.86 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 118.993 -1.083 . . . . 0.0 111.808 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -69.94 -57.24 5.26 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 118.295 -1.362 . . . . 0.0 110.08 -178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.3 -51.36 59.03 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.004 1.44 . . . . 0.0 113.213 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.6 t -56.78 -47.24 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 110.618 -2.992 . . . . 0.0 112.39 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.429 HD11 HD22 ' A' ' 57' ' ' LEU . 36.3 mt -93.8 13.11 23.47 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.195 0.934 . . . . 0.0 112.19 -170.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 75.16 57.17 4.45 Favored Glycine 0 C--N 1.354 1.564 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.131 174.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.6 t -142.49 2.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.92 0 CA-C-N 112.591 -1.805 . . . . 0.0 113.311 -175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.549 0.908 0 CA-C-N 112.543 -2.117 . . . . 0.0 111.589 -179.375 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 CA--C 1.535 0.397 0 CA-C-O 122.039 0.924 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -178.49 5.04 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.446 -2.161 . . . . 0.0 110.52 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -105.58 165.01 11.46 Favored 'General case' 0 C--N 1.35 0.603 0 CA-C-N 112.786 -2.006 . . . . 0.0 111.351 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -103.71 109.91 21.8 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-N 109.445 -3.525 . . . . 0.0 107.582 168.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 55' ' ' ALA . 23.5 m -94.85 119.05 32.78 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 110.907 -2.861 . . . . 0.0 106.943 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -113.34 144.9 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.566 0 C-N-CA 129.117 2.967 . . . . 0.0 104.623 169.102 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.267 2.0 t -130.05 130.88 66.22 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 108.871 -3.786 . . . . 0.0 104.54 -171.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -132.39 129.4 39.31 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 118.418 -1.313 . . . . 0.0 109.174 172.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' CZ ' ' A' ' 46' ' ' PHE . . . -124.09 145.19 15.82 Favored Glycine 0 C--N 1.358 1.802 0 CA-C-N 113.21 -1.814 . . . . 0.0 111.461 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.57 120.93 50.72 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 tt -96.45 117.73 41.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.089 -157.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 55.82 41.65 83.96 Favored Glycine 0 C--N 1.354 1.58 0 CA-C-N 111.842 -2.435 . . . . 0.0 112.393 172.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.3 m -93.67 -71.15 0.67 Allowed 'General case' 0 C--N 1.351 0.637 0 CA-C-N 112.561 -1.82 . . . . 0.0 111.222 -166.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.25 -161.32 0.14 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 112.127 -2.306 . . . . 0.0 107.5 -171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.4 p -84.43 -34.43 23.48 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.771 -1.559 . . . . 0.0 109.673 162.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -78.88 145.85 33.93 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 113.514 -1.676 . . . . 0.0 109.381 174.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.87 54.17 2.76 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.979 -1.918 . . . . 0.0 111.081 -173.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.6 p -62.85 128.37 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 CA-C-N 113.961 -1.472 . . . . 0.0 110.131 179.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 82.44 32.48 27.9 Favored Glycine 0 CA--C 1.536 1.405 0 CA-C-N 112.83 -1.987 . . . . 0.0 111.907 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -169.95 -24.95 0.02 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.98 1.047 . . . . 0.0 111.504 -176.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -66.88 133.4 49.96 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.625 -171.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . 0.292 0.6 OUTLIER 89.75 -35.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.843 -2.435 . . . . 0.0 110.098 -174.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.19 -9.97 59.04 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 113.762 -1.563 . . . . 0.0 113.514 -158.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' CB ' HD21 ' A' ' 36' ' ' ASN . 38.2 t70 -88.63 73.39 8.6 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 123.101 1.429 . . . . 0.0 108.719 172.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.7 20.06 0.46 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 110.934 -2.848 . . . . 0.0 109.165 177.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.2 p -137.1 -50.22 0.64 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.895 -168.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -68.78 -47.76 65.39 Favored 'General case' 0 C--N 1.352 0.687 0 CA-C-N 112.302 -2.226 . . . . 0.0 108.79 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.77 -43.64 98.46 Favored 'General case' 0 C--N 1.354 0.776 0 CA-C-N 113.005 -1.907 . . . . 0.0 110.126 175.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -83.95 24.37 0.92 Allowed 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 112.123 -2.308 . . . . 0.0 112.271 -179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.52 5.16 28.93 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.571 171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 72.72 26.78 70.58 Favored Glycine 0 C--N 1.354 1.529 0 CA-C-N 113.99 -1.459 . . . . 0.0 111.538 -173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.406 ' HB3' HG23 ' A' ' 34' ' ' VAL . 2.5 m-85 -98.46 153.34 18.67 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -78.0 104.82 8.81 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 164.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' ' 32' ' ' PHE . 45.6 t -123.14 123.21 67.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 113.094 -1.866 . . . . 0.0 108.203 -175.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -125.93 114.77 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-N 111.027 -2.806 . . . . 0.0 107.226 -173.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.428 HD21 ' CB ' ' A' ' 24' ' ' ASP . 34.8 m-20 -85.8 105.04 16.03 Favored 'General case' 0 C--N 1.347 0.478 0 CA-C-N 112.824 -1.989 . . . . 0.0 107.327 176.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.476 ' O ' HD13 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -68.86 -35.33 68.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 0 CA-C-N 112.881 -1.963 . . . . 0.0 108.067 168.217 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 72.67 -150.04 44.21 Favored Glycine 0 C--N 1.35 1.308 0 CA-C-N 111.921 -2.4 . . . . 0.0 111.942 163.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -85.21 170.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 CA-C-N 110.94 -2.63 . . . . 0.0 109.633 -169.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 mt 74.11 40.19 0.46 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.998 176.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.89 166.59 1.23 Allowed 'General case' 0 C--N 1.347 0.471 0 CA-C-N 111.936 -2.393 . . . . 0.0 108.322 -169.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m -144.2 -167.81 2.71 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 112.437 -2.165 . . . . 0.0 108.368 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -29.06 65.71 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -165.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.31 -35.11 80.0 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 125.282 1.614 . . . . 0.0 111.465 176.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.0 -16.82 29.04 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 114.102 -1.408 . . . . 0.0 111.749 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.413 ' CZ ' ' HA3' ' A' ' 9' ' ' GLY . 4.4 m-30 -76.63 -37.17 56.79 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-O 123.671 1.701 . . . . 0.0 111.927 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt -49.84 -41.56 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 109.382 -3.554 . . . . 0.0 111.275 158.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -67.53 -28.76 68.08 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 124.246 0.966 . . . . 0.0 112.58 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.5 -28.87 63.15 Favored 'General case' 0 C--O 1.214 -0.773 0 O-C-N 123.87 0.732 . . . . 0.0 110.496 168.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -70.28 -30.44 67.46 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 115.745 -2.382 . . . . 0.0 113.369 167.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.1 mt -69.43 -37.63 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.09 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -76.94 -50.45 13.21 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-N 114.2 -1.364 . . . . 0.0 112.176 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 5' ' ' THR . 19.6 p -98.89 -27.6 13.83 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 125.604 1.815 . . . . 0.0 114.53 -172.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt 90.76 63.02 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 125.735 1.897 . . . . 0.0 109.82 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -89.05 122.39 32.34 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 110.969 -2.832 . . . . 0.0 110.68 -172.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -87.1 -14.85 40.22 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 126.181 2.176 . . . . 0.0 109.417 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.44 HD22 HD11 ' A' ' 134' ' ' LEU . 2.6 pt? -135.47 144.39 46.38 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 124.397 2.046 . . . . 0.0 111.636 163.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.566 ' HB ' HD22 ' A' ' 88' ' ' LEU . 24.1 mt -131.71 125.62 56.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 108.664 -3.88 . . . . 0.0 107.853 -176.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 47.9 t -115.02 141.2 48.32 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 111.146 -2.752 . . . . 0.0 109.545 -176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.48 140.36 31.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 111.952 -2.385 . . . . 0.0 106.743 163.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.43 112.87 22.94 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 170.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -133.48 164.12 27.85 Favored 'General case' 0 C--N 1.347 0.488 0 CA-C-O 123.554 1.645 . . . . 0.0 111.86 -158.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.4 mt -116.17 -28.05 6.69 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 109.419 -3.537 . . . . 0.0 111.854 -166.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.5 t80 78.95 38.88 0.13 Allowed 'General case' 0 C--N 1.353 0.724 0 O-C-N 125.334 1.646 . . . . 0.0 109.643 -160.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -68.47 -49.97 40.99 Favored Glycine 0 C--N 1.354 1.531 0 CA-C-N 110.683 -2.962 . . . . 0.0 107.841 151.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -159.0 69.57 0.47 Allowed 'General case' 0 C--N 1.359 1.014 0 CA-C-N 112.962 -1.619 . . . . 0.0 107.62 174.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -80.13 -45.57 8.14 Favored Glycine 0 C--N 1.354 1.543 0 C-N-CA 116.921 -2.561 . . . . 0.0 111.355 -175.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.12 -27.83 39.08 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 114.11 -1.045 . . . . 0.0 111.869 -178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 38.8 mm -83.92 -44.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 CA-C-N 113.895 -1.502 . . . . 0.0 111.248 -168.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -77.23 -39.61 47.87 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.434 1.084 . . . . 0.0 111.767 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 23.0 p -59.68 -25.77 65.02 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.677 1.235 . . . . 0.0 113.95 -172.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -62.35 111.74 2.13 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.363 -168.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.79 46.4 17.98 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-N 112.612 -2.086 . . . . 0.0 111.64 178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.622 HD22 HD13 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -75.84 -32.33 59.74 Favored 'General case' 0 C--O 1.221 -0.43 0 O-C-N 124.822 0.954 . . . . 0.0 112.935 169.153 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -65.81 -43.41 88.74 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 117.032 -1.867 . . . . 0.0 109.266 176.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.509 0.5 OUTLIER -77.32 -26.26 51.98 Favored 'General case' 0 CA--C 1.488 -1.434 0 N-CA-C 118.548 2.796 . . . . 0.0 118.548 176.952 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.373 46.6 tttp -76.02 -28.89 57.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 125.787 1.93 . . . . 0.0 112.683 167.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.547 ' HG ' HD23 ' A' ' 74' ' ' LEU . 98.7 m -69.96 -47.38 62.53 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 123.854 1.788 . . . . 0.0 110.136 170.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -58.4 -38.64 77.78 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 108.417 -3.992 . . . . 0.0 110.426 177.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.319 0.1 OUTLIER -73.25 -35.16 66.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 110.768 -2.924 . . . . 0.0 112.444 179.022 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.53 8.18 3.08 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 111.93 -2.396 . . . . 0.0 112.741 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.44 16.41 Favored Glycine 0 C--N 1.352 1.434 0 CA-C-N 114.622 -1.172 . . . . 0.0 111.057 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 10.9 mt -127.56 -167.32 1.73 Allowed 'General case' 0 C--N 1.347 0.494 0 CA-C-N 112.087 -2.057 . . . . 0.0 106.265 175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.488 ' H ' HD12 ' A' ' 86' ' ' ILE 0.28 25.5 mmmt -69.69 -172.82 0.53 Allowed 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 112.459 -2.155 . . . . 0.0 113.393 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.81 48.25 2.03 Favored Glycine 0 C--N 1.346 1.123 0 N-CA-C 103.187 -3.965 . . . . 0.0 103.187 159.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.643 HG23 HD21 ' A' ' 88' ' ' LEU 0.252 0.2 OUTLIER -63.75 136.53 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.98 0 CA-C-N 108.687 -3.756 . . . . 0.0 107.134 -165.922 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 57' ' ' LEU . 75.1 mmtt -87.72 123.97 33.1 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 109.387 -3.552 . . . . 0.0 109.333 -159.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.643 HD21 HG23 ' A' ' 86' ' ' ILE . 28.0 mt -117.26 140.11 49.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 113.44 -1.709 . . . . 0.0 111.377 -159.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -107.77 141.35 39.46 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 110.014 -3.266 . . . . 0.0 107.143 173.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.7 p -136.15 123.88 34.92 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.547 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.56 152.09 21.1 Favored Glycine 0 C--N 1.351 1.414 0 CA-C-N 113.747 -1.57 . . . . 0.0 112.29 -167.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 97.48 -149.45 19.25 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-N 111.634 -2.283 . . . . 0.0 110.411 175.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -83.02 115.95 22.07 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-N 112.514 -1.843 . . . . 0.0 107.487 172.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 30.6 pt -137.05 -22.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.605 0 CA-C-N 113.457 -1.701 . . . . 0.0 111.691 -163.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 20.4 t -144.21 149.87 17.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-O 123.035 1.398 . . . . 0.0 108.261 167.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.9 t -156.43 103.38 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.002 0 CA-C-N 110.035 -3.257 . . . . 0.0 106.313 168.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 169.23 62.29 0.03 OUTLIER Glycine 0 C--N 1.349 1.257 0 C-N-CA 118.066 -2.016 . . . . 0.0 111.243 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp 50.73 50.86 18.13 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 113.459 -1.371 . . . . 0.0 111.46 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -161.79 104.09 1.19 Allowed 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 111.802 -2.454 . . . . 0.0 107.334 -168.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -135.75 132.73 37.18 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 112.834 -1.985 . . . . 0.0 108.457 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.601 2.8 m-90 39.95 -78.99 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.685 0 C-N-CA 129.771 3.228 . . . . 0.0 118.515 171.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.99 -38.97 32.46 Favored 'Trans proline' 0 CA--C 1.552 1.385 0 CA-C-N 120.663 1.273 . . . . 0.0 114.758 167.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -80.21 -44.54 19.57 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 112.926 -1.943 . . . . 0.0 111.983 177.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.01 -59.12 4.62 Favored 'Isoleucine or valine' 0 C--N 1.36 1.031 0 O-C-N 124.378 1.049 . . . . 0.0 110.138 -175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -62.6 -27.97 69.57 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 125.121 1.513 . . . . 0.0 113.093 -177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.49 -50.05 74.33 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 117.931 -1.508 . . . . 0.0 111.479 171.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -68.19 -45.79 72.43 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 112.997 -1.91 . . . . 0.0 111.864 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -75.15 -28.88 60.29 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 114.439 -1.255 . . . . 0.0 111.735 -169.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -68.59 -32.34 72.17 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.762 172.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.94 64.53 Favored 'General case' 0 C--N 1.357 0.906 0 CA-C-N 114.575 -1.193 . . . . 0.0 112.212 174.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.9 mtt -70.77 -31.88 68.81 Favored 'General case' 0 C--N 1.357 0.896 0 O-C-N 124.203 0.939 . . . . 0.0 110.777 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 109.88 23.77 6.04 Favored Glycine 0 C--N 1.353 1.483 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.457 175.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -81.17 115.83 20.78 Favored 'General case' 0 C--N 1.35 0.618 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 163.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -68.63 -30.23 68.89 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.274 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -145.06 135.55 24.27 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.422 -1.717 . . . . 0.0 109.583 -171.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.27 113.91 39.68 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.478 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -89.48 117.01 67.79 Favored Pre-proline 0 C--N 1.357 0.902 0 O-C-N 124.698 1.249 . . . . 0.0 109.768 170.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -56.88 171.82 0.95 Allowed 'Trans proline' 0 C--N 1.367 1.514 0 C-N-CA 120.698 0.932 . . . . 0.0 114.507 168.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -74.57 117.75 5.07 Favored 'Trans proline' 0 C--N 1.36 1.179 0 C-N-CA 120.731 0.954 . . . . 0.0 110.43 175.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.63 3.09 Favored Glycine 0 C--N 1.35 1.358 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.926 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 m -98.11 137.17 37.28 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.764 -1.218 . . . . 0.0 108.462 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.3 p -60.1 161.13 13.6 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 112.363 -2.199 . . . . 0.0 109.84 171.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -83.06 -13.75 8.91 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 O-C-N 122.876 0.935 . . . . 0.0 113.981 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.88 -29.83 69.03 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.213 0.946 . . . . 0.0 110.287 -178.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.473 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -67.29 -37.72 83.86 Favored 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 113.168 -1.833 . . . . 0.0 112.038 175.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.6 m -79.54 -34.46 41.02 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.445 2.341 . . . . 0.0 109.495 -169.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 65.8 mt -75.1 -41.62 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.368 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.17 -30.9 63.89 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.859 177.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 125' ' ' THR . 63.0 t0 -62.19 -55.1 31.91 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-N 112.142 -2.299 . . . . 0.0 112.628 169.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 15.7 ptt? -67.61 -28.75 68.01 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 119.42 -0.912 . . . . 0.0 112.646 -178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.42 -57.08 10.28 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.332 -1.304 . . . . 0.0 109.549 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.78 -49.61 75.68 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 113.217 -1.81 . . . . 0.0 113.645 -177.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.8 t -58.76 -47.06 90.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 113.182 -1.827 . . . . 0.0 112.221 -176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.44 HD11 HD22 ' A' ' 57' ' ' LEU . 35.3 mt -87.9 -1.29 57.89 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 124.583 1.177 . . . . 0.0 111.768 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 77.53 73.7 1.04 Allowed Glycine 0 C--N 1.354 1.544 0 O-C-N 124.271 0.982 . . . . 0.0 110.845 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 4.8 t -145.27 165.98 11.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 CA-C-N 112.423 -1.888 . . . . 0.0 106.919 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 113.517 -1.674 . . . . 0.0 110.269 179.564 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.534 0.356 0 CA-C-O 121.505 0.669 . . . . 0.0 110.259 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 68.15 106.21 0.05 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-N 112.79 -2.004 . . . . 0.0 110.934 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.9 165.91 10.86 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-N 113.043 -1.89 . . . . 0.0 110.097 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -117.15 114.51 23.8 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 110.034 -3.257 . . . . 0.0 109.045 -170.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.6 m -84.01 138.58 33.02 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 111.306 -2.679 . . . . 0.0 107.729 172.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -131.51 149.19 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.047 0 C-N-CA 128.092 2.557 . . . . 0.0 105.777 169.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.606 HG13 HG21 ' A' ' 37' ' ' ILE 0.288 0.9 OUTLIER -124.49 133.67 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.126 1 CA-C-N 107.56 -4.382 . . . . 0.0 103.538 -172.938 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -132.42 129.08 38.84 Favored 'General case' 0 C--N 1.349 0.559 0 C-N-CA 117.23 -1.788 . . . . 0.0 108.933 163.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.91 146.29 16.26 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 111.244 -2.707 . . . . 0.0 108.444 167.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.656 HG11 ' HB2' ' A' ' 17' ' ' ALA . 46.9 t -97.08 120.6 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 165.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 13.9 tt -99.22 133.15 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 O-C-N 125.925 2.016 . . . . 0.0 108.46 -177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 141.99 -114.61 0.9 Allowed Glycine 0 C--N 1.345 1.052 0 CA-C-N 112.571 -2.104 . . . . 0.0 111.529 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -154.96 -153.24 0.44 Allowed 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 112.116 -2.042 . . . . 0.0 110.285 -154.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 66.7 170.13 0.24 Allowed 'General case' 0 C--N 1.354 0.781 0 CA-C-N 112.566 -2.106 . . . . 0.0 112.436 168.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.8 m -74.46 -17.84 60.72 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 111.714 -2.494 . . . . 0.0 110.46 164.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -65.35 148.52 51.57 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.791 174.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.656 ' HB2' HG11 ' A' ' 10' ' ' VAL . . . 75.41 102.48 0.07 Allowed 'General case' 0 C--N 1.349 0.555 0 CA-C-N 111.935 -2.393 . . . . 0.0 110.631 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.6 p -133.85 108.78 12.16 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 CA-C-N 111.589 -2.55 . . . . 0.0 106.993 174.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.69 -57.53 2.24 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.622 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.409 ' H ' ' H ' ' A' ' 21' ' ' LYS . 9.4 p30 -174.38 -10.96 0.01 OUTLIER 'General case' 0 C--N 1.353 0.756 0 CA-C-N 113.237 -1.482 . . . . 0.0 112.601 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' A' ' 20' ' ' ASN . 46.3 mtpt 96.32 -98.19 0.0 OUTLIER 'General case' 0 C--N 1.356 0.869 0 O-C-N 125.201 1.563 . . . . 0.0 107.854 -165.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.53 -28.86 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.716 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.093 -176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 23' ' ' LEU 0.282 0.0 OUTLIER -75.44 -3.87 36.32 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 113.632 -1.622 . . . . 0.0 114.427 -155.206 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -61.07 -48.76 80.22 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 124.18 0.925 . . . . 0.0 111.201 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -80.49 77.57 7.27 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 126.528 2.393 . . . . 0.0 112.218 -159.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.4 t 178.44 -32.61 0.01 OUTLIER 'General case' 0 C--N 1.345 0.382 0 CA-C-N 110.987 -2.824 . . . . 0.0 108.191 163.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -64.8 -45.35 86.66 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 124.821 1.326 . . . . 0.0 109.07 170.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.82 -44.89 96.31 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-N 112.213 -2.267 . . . . 0.0 109.576 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -89.87 37.86 0.9 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-N 112.119 -2.31 . . . . 0.0 111.53 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.72 20.07 3.3 Favored 'General case' 0 C--N 1.355 0.818 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.014 172.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 65.42 29.64 75.7 Favored Glycine 0 C--N 1.355 1.623 0 CA-C-N 113.346 -1.752 . . . . 0.0 112.679 177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.28 152.22 20.55 Favored 'General case' 0 C--N 1.358 0.95 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -79.18 104.82 10.07 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 106.117 -1.809 . . . . 0.0 106.117 172.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 t -125.81 134.55 66.35 Favored 'Isoleucine or valine' 0 C--N 1.35 0.627 0 O-C-N 125.27 1.606 . . . . 0.0 108.686 -172.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.5 t -133.03 119.2 35.78 Favored 'Isoleucine or valine' 0 C--N 1.35 0.598 0 CA-C-N 111.787 -2.461 . . . . 0.0 108.219 -162.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -85.94 109.98 19.13 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.686 1.241 . . . . 0.0 108.084 175.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.606 HG21 HG13 ' A' ' 7' ' ' VAL . 1.6 pp -92.31 -42.02 13.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.624 0 CA-C-N 112.823 -1.989 . . . . 0.0 111.524 -164.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 164.16 121.73 0.58 Allowed Glycine 0 C--N 1.35 1.35 0 C-N-CA 118.117 -1.992 . . . . 0.0 111.108 -171.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.75 149.08 4.96 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 CA-C-N 112.095 -2.052 . . . . 0.0 108.291 167.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp 59.3 -119.87 1.01 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 112.251 -2.249 . . . . 0.0 108.608 -162.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 89.2 p 58.16 -158.29 0.29 Allowed 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.177 175.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -162.25 -166.3 1.37 Allowed 'General case' 0 C--N 1.349 0.545 0 CA-C-N 114.236 -1.347 . . . . 0.0 108.42 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -50.25 -35.85 28.72 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 125.864 1.977 . . . . 0.0 114.478 -176.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.98 -21.73 66.89 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 117.978 -1.489 . . . . 0.0 112.303 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -81.08 -42.28 21.25 Favored 'General case' 0 CA--C 1.547 0.849 0 O-C-N 124.743 1.277 . . . . 0.0 111.875 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -75.96 -31.05 58.86 Favored 'General case' 0 C--N 1.357 0.933 0 CA-C-O 122.0 0.905 . . . . 0.0 111.941 -177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 75.7 mt -69.09 -32.92 56.1 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 111.465 -2.607 . . . . 0.0 110.512 168.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.04 -41.09 97.52 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.086 -1.445 . . . . 0.0 109.882 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.2 -28.82 61.45 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 124.646 1.216 . . . . 0.0 111.336 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.85 -30.35 56.28 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 116.489 -2.085 . . . . 0.0 112.889 178.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -70.83 -39.38 75.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 119.462 -0.895 . . . . 0.0 109.68 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -76.23 -50.46 14.39 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 114.434 -1.257 . . . . 0.0 113.147 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 46.6 p -97.65 -28.98 13.67 Favored 'General case' 0 C--N 1.345 0.389 0 O-C-N 125.28 1.612 . . . . 0.0 113.926 -171.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.0 mttt 99.33 55.19 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.427 0 O-C-N 126.234 2.209 . . . . 0.0 110.792 168.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.56 122.78 16.64 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-N 111.723 -2.489 . . . . 0.0 111.505 -172.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -86.42 -27.29 24.26 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 112.53 -2.123 . . . . 0.0 109.165 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -140.2 144.85 36.79 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.087 -1.87 . . . . 0.0 110.296 173.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.564 ' HB ' HD22 ' A' ' 88' ' ' LEU . 92.8 mt -129.8 125.26 60.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-N 111.167 -2.742 . . . . 0.0 106.699 -175.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 46.4 t -114.97 114.77 25.87 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.82 -170.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -107.85 121.82 61.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 111.692 -2.504 . . . . 0.0 108.322 -177.065 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -107.83 121.65 45.17 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-N 113.457 -1.701 . . . . 0.0 108.572 176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m -100.77 121.03 40.99 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 113.474 -1.694 . . . . 0.0 108.535 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.1 mt -73.44 -26.13 60.81 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 111.759 -2.473 . . . . 0.0 111.07 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 104.0 24.34 0.0 OUTLIER 'General case' 0 C--N 1.356 0.888 0 O-C-N 125.954 2.034 . . . . 0.0 111.097 171.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -81.06 -46.78 6.88 Favored Glycine 0 C--N 1.351 1.39 0 CA-C-N 114.028 -1.442 . . . . 0.0 109.793 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -153.53 68.2 0.78 Allowed 'General case' 0 C--N 1.35 0.63 0 CA-C-N 111.781 -2.21 . . . . 0.0 107.84 -175.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.0 -45.22 8.45 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 118.373 -1.87 . . . . 0.0 111.495 -172.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.42 -32.63 54.81 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 114.486 -0.857 . . . . 0.0 111.907 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 57.5 mt -76.37 -44.45 35.6 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.988 -1.46 . . . . 0.0 110.179 -165.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -77.47 -42.67 34.97 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.59 -1.641 . . . . 0.0 112.138 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 60' ' ' VAL . 26.3 t -78.04 -41.37 35.83 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.453 1.095 . . . . 0.0 112.944 -163.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -69.06 133.85 48.63 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 124.426 1.079 . . . . 0.0 111.371 -170.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.84 25.92 63.67 Favored Glycine 0 C--N 1.352 1.441 0 CA-C-N 112.309 -2.223 . . . . 0.0 111.935 -174.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 tp -75.64 -26.1 57.44 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 124.941 1.024 . . . . 0.0 112.115 158.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.573 ' H ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -73.04 -36.07 66.86 Favored 'General case' 0 C--O 1.218 -0.573 0 O-C-N 124.672 1.233 . . . . 0.0 108.64 173.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.292 25.7 mt-10 -77.6 -26.59 50.79 Favored 'General case' 0 CA--C 1.5 -0.958 0 N-CA-C 118.057 2.614 . . . . 0.0 118.057 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.311 15.3 tptm -76.45 -29.4 56.94 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 125.606 1.816 . . . . 0.0 112.692 167.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 92.1 m -77.13 -40.38 45.93 Favored 'General case' 0 CA--C 1.509 -0.608 0 O-C-N 125.45 1.719 . . . . 0.0 110.318 172.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -60.37 -42.34 95.61 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 110.902 -2.863 . . . . 0.0 109.898 173.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.302 25.0 mm-40 -73.23 -29.78 63.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 109.702 -3.408 . . . . 0.0 112.726 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.87 -2.02 21.99 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 113.258 -1.792 . . . . 0.0 113.199 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.93 42.09 17.14 Favored Glycine 0 C--N 1.352 1.44 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 -175.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 43.9 mt -145.37 59.77 1.28 Allowed 'General case' 0 C--N 1.346 0.432 0 CA-C-N 111.336 -2.432 . . . . 0.0 107.574 -175.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.43 ' HD2' ' H ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.15 116.74 29.12 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.699 -2.046 . . . . 0.0 108.242 172.066 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 142.9 -24.2 2.27 Favored Glycine 0 C--N 1.348 1.196 0 CA-C-N 112.32 -2.218 . . . . 0.0 108.037 -164.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.559 ' CG2' HD21 ' A' ' 88' ' ' LEU . 1.4 mp -64.82 124.64 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 111.702 -2.249 . . . . 0.0 108.115 166.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -109.12 132.62 53.94 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 110.774 -2.921 . . . . 0.0 107.484 169.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 58' ' ' ILE . 7.4 mt -109.79 133.8 52.74 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 123.141 1.448 . . . . 0.0 110.626 -170.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 129' ' ' ASP . 20.3 m-30 -107.63 136.81 46.76 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 109.849 -3.342 . . . . 0.0 106.478 166.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.03 123.8 35.38 Favored 'Isoleucine or valine' 0 C--N 1.349 0.559 0 CA-C-N 113.574 -1.648 . . . . 0.0 108.011 176.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -131.47 152.24 19.98 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 113.142 -1.845 . . . . 0.0 111.077 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.6 -140.68 16.4 Favored Glycine 0 C--N 1.35 1.349 0 CA-C-N 112.824 -1.688 . . . . 0.0 110.897 170.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -103.65 82.29 2.0 Allowed 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.005 -2.098 . . . . 0.0 107.963 -175.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 94' ' ' ILE . 1.8 pt -97.08 -41.5 11.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.776 0 CA-C-N 113.473 -1.694 . . . . 0.0 109.729 -162.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 95' ' ' VAL . 11.3 t -145.02 15.22 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.081 0 CA-C-O 122.75 1.262 . . . . 0.0 111.907 162.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 96' ' ' VAL . 7.2 p -48.8 115.74 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 CA-C-N 112.814 -1.994 . . . . 0.0 113.173 -170.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.99 -54.46 0.57 Allowed Glycine 0 C--N 1.347 1.181 0 CA-C-N 114.453 -1.248 . . . . 0.0 110.709 177.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.29 20.88 3.54 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 113.842 -1.179 . . . . 0.0 112.299 176.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 160.16 127.64 0.0 OUTLIER 'General case' 0 C--N 1.349 0.564 0 C-N-CA 128.239 2.616 . . . . 0.0 104.938 -173.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -134.99 122.01 21.26 Favored 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.245 0.966 . . . . 0.0 110.387 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.593 1.8 m-90 38.3 -74.32 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.793 0 C-N-CA 130.601 3.56 . . . . 0.0 119.406 162.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -48.04 -38.46 31.9 Favored 'Trans proline' 0 CA--C 1.556 1.578 0 CA-C-N 120.93 1.368 . . . . 0.0 114.472 166.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -80.11 -49.52 11.61 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 112.62 -2.082 . . . . 0.0 111.886 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.6 t -64.2 -48.1 87.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 O-C-N 124.332 1.02 . . . . 0.0 111.047 -173.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.01 -35.51 78.42 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 114.174 -1.375 . . . . 0.0 112.006 -179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -60.47 -39.86 89.14 Favored 'General case' 0 C--N 1.358 0.936 0 C-N-CA 118.17 -1.412 . . . . 0.0 111.714 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 67.2 ttt180 -72.69 -53.09 12.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.451 -176.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -68.81 -51.27 42.65 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 113.769 -1.559 . . . . 0.0 110.32 -169.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -66.11 -39.58 90.06 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.656 -2.065 . . . . 0.0 112.545 -175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.42 75.09 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 124.418 1.074 . . . . 0.0 111.987 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.5 mmt -79.35 -20.02 48.84 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 113.98 -1.464 . . . . 0.0 112.121 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 166.03 -35.02 0.24 Allowed Glycine 0 C--N 1.358 1.798 0 C-N-CA 117.163 -2.446 . . . . 0.0 114.834 174.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.483 ' HZ ' ' HG ' ' A' ' 71' ' ' CYS . 54.9 m-85 -60.0 144.14 50.03 Favored 'General case' 0 C--N 1.358 0.953 0 CA-C-O 122.288 1.042 . . . . 0.0 111.255 -174.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.75 -56.23 5.25 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 112.617 -2.083 . . . . 0.0 109.454 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -145.2 150.96 37.65 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 113.33 -1.759 . . . . 0.0 109.441 -176.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.26 132.7 70.92 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 CA-C-N 113.294 -1.776 . . . . 0.0 108.89 176.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -92.92 116.75 66.99 Favored Pre-proline 0 C--N 1.356 0.881 0 O-C-N 124.618 1.199 . . . . 0.0 110.851 172.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -55.92 132.56 52.74 Favored 'Trans proline' 0 C--N 1.37 1.686 0 O-C-N 123.172 1.09 . . . . 0.0 112.098 159.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -65.08 111.38 1.74 Allowed 'Trans proline' 0 C--N 1.365 1.414 0 C-N-CA 120.779 0.986 . . . . 0.0 110.971 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.22 -0.27 3.53 Favored Glycine 0 CA--C 1.539 1.545 0 CA-C-N 112.359 -2.201 . . . . 0.0 112.32 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.6 m -74.39 137.14 42.51 Favored 'General case' 0 C--N 1.358 0.965 0 CA-C-O 122.282 1.039 . . . . 0.0 109.788 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -57.26 165.94 1.79 Allowed Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 111.833 -2.439 . . . . 0.0 110.054 168.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -83.11 -14.86 8.25 Favored 'Trans proline' 0 C--N 1.354 0.82 0 O-C-N 122.642 0.812 . . . . 0.0 113.874 172.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -71.28 -29.66 65.32 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 124.47 1.106 . . . . 0.0 111.269 -174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.75 -31.87 68.82 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.229 -1.805 . . . . 0.0 112.127 175.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.9 m -79.4 -32.67 43.03 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 125.948 2.03 . . . . 0.0 109.189 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.415 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 65.9 mt -75.1 -40.07 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 111.484 -2.598 . . . . 0.0 110.257 178.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.24 -31.01 63.87 Favored 'General case' 0 C--N 1.348 0.501 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.955 175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 52.0 m-20 -63.41 -55.23 25.99 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 116.719 -1.992 . . . . 0.0 112.333 170.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.415 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 21.7 ptp -67.43 -29.01 68.38 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 123.872 0.733 . . . . 0.0 112.304 -171.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -71.87 -57.1 4.61 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 113.846 -1.525 . . . . 0.0 109.772 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -60.26 -30.94 69.77 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 114.15 -1.387 . . . . 0.0 113.993 -177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.2 t -71.94 -46.85 58.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-N 113.787 -1.551 . . . . 0.0 110.865 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 74.9 mt -95.88 21.63 8.35 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 124.494 1.121 . . . . 0.0 112.345 -170.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.68 59.84 4.6 Favored Glycine 0 C--N 1.354 1.548 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.082 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.9 t -149.72 155.12 8.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.479 -1.86 . . . . 0.0 107.177 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 CA--C 1.543 0.701 0 CA-C-N 113.344 -1.753 . . . . 0.0 109.177 -179.854 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.1 ttp . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 121.583 0.706 . . . . 0.0 110.492 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -169.89 -47.6 0.02 OUTLIER 'General case' 0 C--N 1.35 0.625 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.531 -172.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.74 165.16 11.37 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 112.372 -2.195 . . . . 0.0 111.143 -176.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 mppp? -112.23 109.57 19.32 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 109.393 -3.548 . . . . 0.0 105.323 157.836 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 53' ' ' THR . 14.0 m -98.25 137.98 36.19 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 112.207 -2.27 . . . . 0.0 107.924 -178.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.525 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -118.02 122.81 70.57 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 111.903 -2.408 . . . . 0.0 105.308 171.69 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.651 ' CG1' HD11 ' A' ' 37' ' ' ILE 0.299 0.9 OUTLIER -107.9 116.76 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 CA-C-N 109.546 -3.479 . . . . 0.0 104.265 -167.177 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.55 128.7 46.07 Favored 'General case' 0 C--N 1.36 1.059 0 C-N-CA 117.173 -1.811 . . . . 0.0 110.723 179.573 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.697 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -124.32 145.87 16.02 Favored Glycine 0 C--N 1.346 1.089 0 CA-C-N 110.526 -3.034 . . . . 0.0 110.14 173.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -97.45 120.26 46.55 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 116.522 -2.071 . . . . 0.0 106.687 163.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.488 HG21 ' SG ' ' A' ' 71' ' ' CYS . 5.7 tt -97.52 132.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.349 0.581 0 CA-C-N 111.383 -2.644 . . . . 0.0 109.557 -167.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 59.31 43.59 97.18 Favored Glycine 0 CA--C 1.537 1.427 0 CA-C-N 113.425 -1.716 . . . . 0.0 111.387 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.9 p -58.77 -50.1 75.18 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 113.313 -1.443 . . . . 0.0 111.841 -166.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 14.5 t70 54.05 31.49 13.8 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 111.692 -2.504 . . . . 0.0 111.922 174.047 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.8 t -173.98 -39.52 0.01 OUTLIER 'General case' 0 C--N 1.35 0.61 0 CA-C-N 112.788 -2.006 . . . . 0.0 110.338 -168.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 75.27 118.63 0.05 Allowed 'General case' 0 C--N 1.355 0.841 0 O-C-N 125.358 1.661 . . . . 0.0 112.017 171.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 66.76 16.55 10.41 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-N 111.666 -2.515 . . . . 0.0 112.793 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.13 -37.11 45.83 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-N 114.327 -1.306 . . . . 0.0 110.647 177.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.61 132.62 10.85 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-N 111.727 -2.488 . . . . 0.0 108.243 174.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 61.53 92.92 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 113.089 -1.556 . . . . 0.0 111.644 173.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -131.99 -49.67 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 CA-C-N 111.821 -2.445 . . . . 0.0 107.147 172.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.32 -28.07 16.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 CA-C-N 111.955 -2.384 . . . . 0.0 109.228 172.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.1 mt -80.4 9.78 5.45 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 114.041 -1.436 . . . . 0.0 112.769 -170.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.85 -46.18 9.14 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 162.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -74.79 141.03 44.39 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.658 -2.064 . . . . 0.0 110.518 -174.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 39.2 t 89.72 -21.08 0.13 Allowed 'General case' 0 C--N 1.351 0.659 0 CA-C-N 111.431 -2.622 . . . . 0.0 111.352 -171.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -87.55 -47.05 9.03 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -44.63 96.88 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 112.395 -2.184 . . . . 0.0 108.873 171.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -95.38 50.8 1.26 Allowed 'General case' 0 C--N 1.355 0.814 0 CA-C-N 111.78 -2.464 . . . . 0.0 110.647 178.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 26' ' ' SER . . . -138.4 16.4 2.76 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 113.109 -1.859 . . . . 0.0 108.798 160.124 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.8 35.53 89.81 Favored Glycine 0 C--N 1.354 1.532 0 CA-C-N 113.69 -1.596 . . . . 0.0 112.062 -178.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.39 151.5 21.45 Favored 'General case' 0 C--N 1.36 1.054 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 173.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -77.9 114.06 16.4 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 104.107 -2.553 . . . . 0.0 104.107 171.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.463 HG13 HG12 ' A' ' 6' ' ' ILE . 58.2 t -127.08 108.77 19.23 Favored 'Isoleucine or valine' 0 C--N 1.345 0.407 0 O-C-N 124.888 1.368 . . . . 0.0 108.666 -174.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.19 137.01 25.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 110.996 -2.82 . . . . 0.0 107.707 176.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 -99.28 124.48 44.41 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 113.122 -1.853 . . . . 0.0 107.993 172.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.697 HD12 ' N ' ' A' ' 9' ' ' GLY . 60.9 mt -68.93 -42.12 82.21 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 CA-C-N 112.742 -2.027 . . . . 0.0 109.827 177.219 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.81 -157.93 19.95 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 111.957 -2.383 . . . . 0.0 109.265 -175.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -109.15 156.75 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 CA-C-N 111.868 -2.166 . . . . 0.0 108.946 -175.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' H ' ' A' ' 41' ' ' SER . 2.4 tp 65.52 -137.4 0.2 Allowed 'General case' 0 CA--C 1.552 1.04 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.896 177.418 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.503 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 40.5 t 55.81 -179.43 0.04 OUTLIER 'General case' 0 C--N 1.354 0.761 0 C-N-CA 125.36 1.464 . . . . 0.0 112.154 -175.341 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 p -119.67 -159.91 0.8 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 111.967 -2.379 . . . . 0.0 106.84 166.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -48.19 -28.53 3.05 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 112.651 -2.068 . . . . 0.0 113.709 174.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -60.74 -39.27 88.07 Favored 'General case' 0 CA--C 1.552 1.03 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -173.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -88.0 -21.34 24.88 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 118.019 -1.473 . . . . 0.0 111.252 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.5 OUTLIER -76.23 -34.23 59.21 Favored 'General case' 0 C--N 1.356 0.864 0 CA-C-O 123.213 1.482 . . . . 0.0 112.703 -179.198 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mt -49.6 -49.27 19.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 109.823 -3.353 . . . . 0.0 110.146 156.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -68.07 -28.89 67.76 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 125.128 1.518 . . . . 0.0 113.381 -167.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 53' ' ' THR . . . -73.86 -28.54 61.63 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 117.409 -1.282 . . . . 0.0 111.291 169.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.478 ' HB2' HD11 ' A' ' 58' ' ' ILE . . . -75.46 -30.38 59.94 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 118.738 -1.185 . . . . 0.0 113.376 172.027 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.2 -37.55 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 119.452 -0.899 . . . . 0.0 108.604 170.414 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -71.4 -50.73 29.04 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 113.641 -1.618 . . . . 0.0 111.474 -170.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.008 HG21 HG21 ' A' ' 5' ' ' THR . 1.6 t -91.81 -41.11 10.84 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 111.099 -2.773 . . . . 0.0 113.014 -171.174 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mmpt? 85.77 79.81 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 111.296 -2.683 . . . . 0.0 109.68 -162.104 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.94 136.07 56.4 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 112.036 -2.347 . . . . 0.0 109.933 178.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -90.28 -32.24 16.62 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.433 1.083 . . . . 0.0 109.885 164.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 HD21 HG22 ' A' ' 6' ' ' ILE . 2.3 pt? -140.23 145.01 36.82 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 113.563 -1.653 . . . . 0.0 109.384 175.557 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 ' HB2' ' A' ' 50' ' ' ALA . 30.5 mt -121.86 131.76 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 CA-C-N 111.65 -2.523 . . . . 0.0 106.867 -179.479 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.7 t -115.33 138.48 50.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 110.811 -2.904 . . . . 0.0 108.472 -173.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -130.6 136.11 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 111.411 -2.631 . . . . 0.0 108.11 -178.139 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.08 112.7 23.0 Favored 'General case' 0 C--N 1.351 0.637 0 O-C-N 125.26 1.6 . . . . 0.0 108.452 178.497 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.7 m -104.03 163.78 12.15 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.603 -175.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.8 mt -129.5 -17.81 3.65 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 111.76 -2.473 . . . . 0.0 111.451 -178.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 11.7 t80 79.23 137.13 0.06 Allowed 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.822 1.326 . . . . 0.0 109.415 -178.438 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.92 -41.77 2.02 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 111.74 -2.482 . . . . 0.0 107.956 -165.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.1 mp0 -146.32 23.92 1.29 Allowed 'General case' 0 C--N 1.356 0.883 0 CA-C-N 112.953 -1.623 . . . . 0.0 109.149 174.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -74.57 -45.4 23.17 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 118.192 -1.956 . . . . 0.0 111.264 -173.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -80.47 -28.45 37.58 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 113.589 -1.305 . . . . 0.0 112.823 174.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 31.0 mt -68.37 -44.28 83.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.634 -172.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -77.38 -52.89 8.39 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-N 113.055 -1.884 . . . . 0.0 111.799 175.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.488 ' SG ' HG21 ' A' ' 11' ' ' ILE . 91.2 m -62.9 -51.14 68.11 Favored 'General case' 0 C--N 1.357 0.932 0 C-N-CA 119.522 -0.871 . . . . 0.0 112.555 -169.097 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -69.83 113.45 7.08 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 125.093 1.496 . . . . 0.0 110.788 -170.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.02 16.23 21.85 Favored Glycine 0 C--N 1.352 1.431 0 CA-C-N 112.618 -2.083 . . . . 0.0 112.348 -176.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.6 tp -75.59 -25.81 57.33 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 123.742 0.817 . . . . 0.0 111.667 156.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.429 HH21 ' HB3' ' A' ' 111' ' ' MET . 66.4 ttp85 -59.16 -54.5 46.2 Favored 'General case' 0 C--O 1.217 -0.613 0 C-N-CA 117.977 -1.489 . . . . 0.0 109.234 170.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.436 24.5 tt0 -77.54 -25.95 50.57 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 118.198 2.666 . . . . 0.0 118.198 -179.112 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.35 27.2 tttp -76.13 -29.11 57.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 125.142 1.526 . . . . 0.0 112.012 167.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.461 ' SG ' HG21 ' A' ' 86' ' ' ILE . 12.4 p -77.03 -41.45 42.56 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 117.662 -1.615 . . . . 0.0 110.146 174.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -62.74 -38.37 90.25 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 110.181 -3.19 . . . . 0.0 110.568 176.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.292 27.2 mm-40 -73.42 -30.76 63.45 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 110.949 -2.841 . . . . 0.0 112.826 175.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.34 0.05 15.6 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 113.429 -1.714 . . . . 0.0 113.058 178.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.34 44.04 9.04 Favored Glycine 0 C--N 1.353 1.5 0 CA-C-O 122.269 0.927 . . . . 0.0 110.811 -179.63 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 86' ' ' ILE . 39.0 mt -138.61 63.02 1.53 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 111.867 -2.166 . . . . 0.0 107.142 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -92.08 116.81 29.25 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 111.956 -2.384 . . . . 0.0 108.303 172.285 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 144.07 -24.15 2.08 Favored Glycine 0 C--N 1.344 1.023 0 CA-C-N 112.366 -2.197 . . . . 0.0 108.378 -171.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.495 HG22 ' CD2' ' A' ' 88' ' ' LEU . 1.8 mp -65.63 124.47 20.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.102 167.011 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -109.42 130.29 55.51 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 109.749 -3.387 . . . . 0.0 106.539 169.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.495 ' CD2' HG22 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -109.41 132.61 53.96 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-O 123.439 1.59 . . . . 0.0 111.478 -165.309 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -109.61 129.81 55.56 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 108.976 -3.738 . . . . 0.0 106.821 166.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -129.87 123.78 57.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.687 0 CA-C-N 113.756 -1.566 . . . . 0.0 108.715 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -139.39 152.26 22.33 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 112.832 -1.985 . . . . 0.0 111.82 -166.815 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 122.35 -149.16 17.02 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 111.86 -2.17 . . . . 0.0 108.455 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -91.51 82.95 5.33 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.907 -1.647 . . . . 0.0 106.962 168.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.3 pt -79.57 -37.06 18.18 Favored 'Isoleucine or valine' 0 C--N 1.348 0.528 0 CA-C-N 112.695 -2.048 . . . . 0.0 110.091 -169.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 95' ' ' VAL . 41.9 t -137.93 1.04 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 CA-C-N 113.045 -1.889 . . . . 0.0 111.757 166.111 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.7 t -72.7 119.49 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 112.101 -2.318 . . . . 0.0 110.951 -162.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.55 -38.73 0.08 OUTLIER Glycine 0 C--N 1.347 1.189 0 CA-C-N 112.306 -2.224 . . . . 0.0 110.284 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -163.58 35.78 0.09 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 112.926 -1.637 . . . . 0.0 109.435 -179.648 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -145.26 166.57 25.12 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.591 -2.095 . . . . 0.0 107.885 -178.189 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -154.86 140.89 18.36 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-N 113.644 -1.616 . . . . 0.0 110.918 -174.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.448 ' H ' ' HE3' ' A' ' 101' ' ' TRP 0.423 1.4 m-90 -4.01 -57.66 0.0 OUTLIER Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 130.099 3.36 . . . . 0.0 120.032 170.906 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -47.9 -52.07 8.81 Favored 'Trans proline' 0 CA--C 1.551 1.367 0 CA-C-N 121.123 1.437 . . . . 0.0 114.319 174.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -73.14 -47.62 42.47 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 112.862 -1.972 . . . . 0.0 111.923 179.466 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.416 ' HA ' HH21 ' A' ' 107' ' ' ARG . 93.8 t -66.32 -51.6 56.71 Favored 'Isoleucine or valine' 0 C--N 1.352 0.688 0 CA-C-N 113.444 -1.707 . . . . 0.0 111.168 -170.453 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -73.44 -40.28 64.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 113.419 -1.719 . . . . 0.0 110.677 -170.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -63.44 -29.96 71.16 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 124.934 1.397 . . . . 0.0 112.292 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 HH21 ' HA ' ' A' ' 104' ' ' VAL . 14.4 ttp180 -69.56 -49.83 50.6 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 114.167 -1.379 . . . . 0.0 111.258 179.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -68.74 -33.44 73.91 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.884 -1.507 . . . . 0.0 112.142 -177.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -77.78 -28.94 50.62 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 113.309 -1.769 . . . . 0.0 110.865 -179.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.03 -27.93 69.14 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.172 175.114 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.429 ' HB3' HH21 ' A' ' 75' ' ' ARG . 19.5 mmt -70.74 -64.16 0.95 Allowed 'General case' 0 C--N 1.356 0.867 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.775 166.671 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 156.52 2.38 0.1 OUTLIER Glycine 0 CA--C 1.539 1.589 0 CA-C-N 113.408 -1.724 . . . . 0.0 113.716 177.002 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -59.9 115.97 3.78 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 174.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.8 -37.12 70.43 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 112.749 -2.023 . . . . 0.0 111.916 -161.1 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -136.66 147.97 47.14 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-O 123.227 1.489 . . . . 0.0 110.253 176.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 22.8 t -123.05 113.83 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 CA-C-N 110.332 -3.122 . . . . 0.0 108.513 -169.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -105.16 118.43 55.97 Favored Pre-proline 0 C--N 1.352 0.685 0 CA-C-N 113.227 -1.806 . . . . 0.0 112.703 -170.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -55.87 167.56 2.23 Favored 'Trans proline' 0 C--N 1.369 1.637 0 N-CA-C 115.806 1.425 . . . . 0.0 115.806 169.172 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.02 -1.51 6.3 Favored 'Trans proline' 0 C--N 1.371 1.711 0 N-CA-C 118.293 2.382 . . . . 0.0 118.293 -172.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.62 69.54 0.3 Allowed Glycine 0 C--N 1.347 1.176 0 O-C-N 124.572 1.17 . . . . 0.0 110.255 -176.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.02 137.36 40.4 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 112.039 -2.081 . . . . 0.0 108.713 176.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.76 159.79 1.65 Allowed Pre-proline 0 CA--C 1.545 0.777 0 CA-C-N 113.052 -1.885 . . . . 0.0 110.233 165.361 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.99 -18.39 6.34 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 123.01 1.005 . . . . 0.0 113.059 174.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -73.13 -29.73 63.1 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.162 -1.381 . . . . 0.0 111.177 -169.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.59 -31.81 67.36 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.194 175.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.4 m -79.23 -37.06 38.99 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 126.176 2.172 . . . . 0.0 108.296 -172.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.1 -37.17 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.939 0 CA-C-N 110.695 -2.957 . . . . 0.0 109.823 -179.543 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -31.02 63.97 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.667 173.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -62.56 -55.33 28.33 Favored 'General case' 0 C--O 1.216 -0.704 0 C-N-CA 115.871 -2.332 . . . . 0.0 112.25 170.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 18.4 ptp -67.37 -28.93 68.35 Favored 'General case' 0 C--N 1.351 0.656 0 O-C-N 123.868 0.73 . . . . 0.0 111.779 -172.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -68.86 -54.81 13.56 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.2 176.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -57.98 -51.39 69.86 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 114.798 -1.092 . . . . 0.0 113.781 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 50.8 t -57.01 -46.99 84.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-N 112.903 -1.953 . . . . 0.0 112.705 -179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 89.4 mt -80.44 -1.71 42.69 Favored 'General case' 0 C--N 1.357 0.923 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.714 -175.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 80.84 63.31 1.91 Allowed Glycine 0 C--N 1.352 1.419 0 CA-C-N 114.548 -1.205 . . . . 0.0 111.841 167.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.7 p -161.1 149.97 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 111.674 -2.263 . . . . 0.0 109.753 -172.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 . . . . . 0 CA--C 1.548 0.873 0 CA-C-N 109.216 -3.629 . . . . 0.0 110.983 -172.597 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 mpp? . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.474 0.654 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.26 -30.88 58.01 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-N 113.466 -1.697 . . . . 0.0 109.736 170.195 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.32 165.27 25.53 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 113.197 -1.82 . . . . 0.0 107.8 169.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -102.16 109.83 21.64 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.517 -1.674 . . . . 0.0 107.302 162.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.414 HG22 ' CB ' ' A' ' 55' ' ' ALA . 36.4 m -83.47 125.06 31.34 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 113.121 -1.854 . . . . 0.0 107.133 170.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -105.85 146.44 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 CA-C-N 111.488 -2.596 . . . . 0.0 104.798 156.75 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG13 HG21 ' A' ' 37' ' ' ILE 0.269 1.2 t -130.16 125.75 60.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.717 0 CA-C-N 109.043 -3.708 . . . . 0.0 103.42 -166.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 pp -132.57 129.12 38.59 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 116.996 -1.882 . . . . 0.0 109.993 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.429 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.98 146.15 16.2 Favored Glycine 0 C--N 1.345 1.043 0 CA-C-N 111.418 -2.628 . . . . 0.0 110.051 170.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -97.43 120.61 46.99 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.815 HD13 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -96.77 117.96 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 CA-C-N 111.786 -2.461 . . . . 0.0 109.781 -168.735 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.29 -4.96 0.17 Allowed Glycine 0 CA--C 1.539 1.557 0 CA-C-N 111.2 -2.727 . . . . 0.0 113.687 171.458 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 m 57.66 106.9 0.01 OUTLIER 'General case' 0 C--N 1.36 1.031 0 C-N-CA 123.792 0.837 . . . . 0.0 109.895 -166.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -162.46 156.88 21.64 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 114.121 -1.399 . . . . 0.0 109.297 -173.117 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 25.8 p -78.84 -32.02 45.97 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 113.02 -1.9 . . . . 0.0 110.446 176.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -81.63 131.9 35.28 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 114.234 -1.348 . . . . 0.0 109.111 176.431 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.82 54.6 0.93 Allowed 'General case' 0 C--N 1.349 0.584 0 CA-C-N 112.608 -2.087 . . . . 0.0 109.11 176.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.4 p -67.97 111.95 2.77 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 113.263 -1.79 . . . . 0.0 109.797 177.598 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.51 34.71 6.21 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 113.049 -1.887 . . . . 0.0 110.633 -174.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 178.68 35.03 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 112.411 -1.895 . . . . 0.0 107.942 -170.522 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -175.23 -51.52 0.01 OUTLIER 'General case' 0 C--N 1.348 0.514 0 CA-C-N 112.516 -2.129 . . . . 0.0 107.032 -168.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -87.74 -51.72 12.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 111.877 -2.419 . . . . 0.0 106.508 174.457 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.5 mt -106.65 70.06 0.8 Allowed 'General case' 0 C--N 1.357 0.922 0 CA-C-N 113.278 -1.783 . . . . 0.0 109.817 172.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -147.99 66.12 1.1 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-N 111.217 -2.72 . . . . 0.0 106.461 147.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -150.96 -40.59 0.12 Allowed 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 111.379 -2.646 . . . . 0.0 108.447 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -67.21 -46.38 74.04 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.997 174.288 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -70.88 -42.76 69.59 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 112.675 -2.057 . . . . 0.0 110.476 -176.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.11 -42.79 99.64 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.68 -1.6 . . . . 0.0 110.705 -179.154 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -90.72 19.45 5.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-N 112.923 -1.944 . . . . 0.0 111.682 178.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.67 2.64 56.61 Favored 'General case' 0 C--N 1.356 0.873 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.084 166.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 24.44 73.55 Favored Glycine 0 C--N 1.356 1.67 0 CA-C-N 113.6 -1.636 . . . . 0.0 111.181 -173.577 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -97.35 152.98 18.37 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 118.454 -1.298 . . . . 0.0 108.349 -177.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -77.96 104.93 8.83 Favored 'General case' 0 C--N 1.356 0.868 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 165.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.97 108.86 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 113.43 -1.714 . . . . 0.0 108.564 -172.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.46 118.87 53.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 111.109 -2.769 . . . . 0.0 108.147 -176.3 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 -85.85 108.88 18.34 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 112.889 -1.959 . . . . 0.0 108.179 179.419 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.519 HG21 HG13 ' A' ' 7' ' ' VAL . 1.0 OUTLIER -78.82 -25.71 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 112.394 -2.185 . . . . 0.0 110.77 -174.9 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.1 176.12 22.78 Favored Glycine 0 C--N 1.356 1.66 0 CA-C-N 113.941 -1.482 . . . . 0.0 111.235 175.55 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 t -87.26 117.93 32.27 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 CA-C-N 112.361 -1.92 . . . . 0.0 109.505 -174.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -164.09 139.5 6.09 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 114.517 -1.22 . . . . 0.0 110.008 173.461 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.1 t -85.06 90.84 7.95 Favored 'General case' 0 C--N 1.358 0.946 0 C-N-CA 119.784 -0.766 . . . . 0.0 110.615 163.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.15 127.77 0.1 Allowed 'General case' 0 C--N 1.356 0.881 0 CA-C-O 122.5 1.143 . . . . 0.0 112.439 173.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 5.6 mm100 -47.93 -55.23 10.41 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 112.184 -2.28 . . . . 0.0 112.506 169.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -62.8 -19.96 64.55 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.421 1.075 . . . . 0.0 113.334 -164.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -77.12 -44.9 28.73 Favored 'General case' 0 C--N 1.356 0.882 0 O-C-N 124.33 1.019 . . . . 0.0 111.261 175.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.445 ' CE2' HG13 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -76.24 -34.89 59.19 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-O 122.797 1.284 . . . . 0.0 113.436 -175.401 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.61 -45.27 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 CA-C-N 110.329 -3.123 . . . . 0.0 110.619 161.096 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.04 -28.76 66.84 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 124.89 1.369 . . . . 0.0 112.08 -171.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.08 -28.33 62.23 Favored 'General case' 0 C--N 1.348 0.533 0 O-C-N 124.199 0.937 . . . . 0.0 112.413 171.133 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' H ' ' A' ' 55' ' ' ALA . . . -74.01 -30.3 62.39 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 117.921 -1.512 . . . . 0.0 113.768 166.558 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.05 -43.04 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 119.648 -0.821 . . . . 0.0 109.657 173.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -77.15 -50.65 12.52 Favored 'General case' 0 CA--C 1.493 -1.224 0 CA-C-N 113.952 -1.476 . . . . 0.0 109.315 -168.591 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . 0.26 0.0 OUTLIER -105.17 -9.84 17.49 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 110.522 -3.035 . . . . 0.0 113.617 -165.525 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.3 mttp 73.63 59.83 0.09 Allowed 'General case' 0 C--N 1.348 0.518 0 O-C-N 124.98 1.425 . . . . 0.0 110.025 167.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' H ' ' HA ' ' A' ' 50' ' ' ALA . . . -83.87 122.58 28.9 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 111.44 -2.618 . . . . 0.0 111.037 -169.843 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.22 -28.27 63.06 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 113.105 -1.861 . . . . 0.0 109.892 173.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.453 HD22 HD11 ' A' ' 134' ' ' LEU 0.261 2.7 pt? -140.38 144.92 36.48 Favored 'General case' 0 C--N 1.353 0.756 0 CA-C-O 123.91 1.814 . . . . 0.0 112.508 175.832 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.618 ' HB ' HD22 ' A' ' 88' ' ' LEU . 60.0 mt -126.15 128.28 71.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 109.33 -3.577 . . . . 0.0 108.531 -177.455 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 41.8 t -115.07 136.75 52.78 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 112.46 -2.155 . . . . 0.0 109.049 -175.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.445 HG13 ' CE2' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.12 121.72 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 111.649 -2.523 . . . . 0.0 106.15 179.208 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 t -114.83 112.68 23.15 Favored 'General case' 0 C--N 1.353 0.741 0 O-C-N 124.775 1.297 . . . . 0.0 108.616 175.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.0 p -100.86 155.87 17.69 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.848 -178.127 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.34 16.98 0.41 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 110.731 -2.941 . . . . 0.0 110.176 -166.341 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -141.54 2.42 1.62 Allowed 'General case' 0 C--N 1.358 0.952 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.745 -169.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.11 17.11 80.03 Favored Glycine 0 C--N 1.357 1.701 0 CA-C-N 114.996 -1.002 . . . . 0.0 114.557 168.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -137.92 33.66 2.4 Favored 'General case' 0 C--N 1.353 0.745 0 CA-C-O 123.034 1.397 . . . . 0.0 109.666 175.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.416 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -69.07 -38.87 84.38 Favored Glycine 0 C--N 1.345 1.046 0 CA-C-N 112.121 -2.309 . . . . 0.0 110.134 -177.034 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.59 -27.95 68.12 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 113.253 -1.474 . . . . 0.0 112.453 177.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.1 mm -68.16 -44.66 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.285 -170.169 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' A' ' 11' ' ' ILE . 35.2 t70 -77.91 -56.12 4.75 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-N 114.16 -1.382 . . . . 0.0 113.027 170.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.815 ' SG ' HD13 ' A' ' 11' ' ' ILE . 64.5 m -64.48 -25.71 68.12 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 113.501 -1.681 . . . . 0.0 115.04 -164.185 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -57.0 111.44 1.04 Allowed 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.192 0.932 . . . . 0.0 109.99 -177.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.67 40.84 36.78 Favored Glycine 0 C--N 1.357 1.737 0 C-N-CA 118.581 -1.771 . . . . 0.0 110.784 178.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.43 -26.23 58.17 Favored 'General case' 0 C--O 1.218 -0.581 0 O-C-N 126.364 1.861 . . . . 0.0 110.316 161.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -73.08 -32.02 64.74 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 117.619 -1.632 . . . . 0.0 109.507 172.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.351 33.6 tt0 -77.59 -26.43 50.76 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 169.931 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.317 5.3 tmtt? -76.18 -29.21 57.6 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 125.748 1.905 . . . . 0.0 112.72 166.8 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.47 ' SG ' HD12 ' A' ' 58' ' ' ILE . 69.9 m -77.14 -40.94 43.83 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 125.667 1.854 . . . . 0.0 110.495 171.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.87 -43.42 85.99 Favored 'General case' 0 CA--C 1.503 -0.86 0 CA-C-N 110.676 -2.965 . . . . 0.0 109.658 172.288 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 26.2 mm-40 -73.17 -29.88 63.17 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 109.172 -3.649 . . . . 0.0 112.226 179.38 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.92 -3.19 27.45 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.161 -1.836 . . . . 0.0 113.343 176.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.67 46.49 7.86 Favored Glycine 0 C--N 1.353 1.482 0 CA-C-O 122.471 1.039 . . . . 0.0 110.754 -177.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.406 ' HB3' HD12 ' A' ' 86' ' ' ILE . 83.6 mt -149.28 70.32 1.08 Allowed 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 111.535 -2.332 . . . . 0.0 106.812 -175.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.65 127.03 55.99 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.24 -2.254 . . . . 0.0 110.449 -173.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 124.12 -28.0 5.46 Favored Glycine 0 C--N 1.353 1.501 0 N-CA-C 107.104 -2.398 . . . . 0.0 107.104 -172.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.767 HG22 HD21 ' A' ' 88' ' ' LEU . 56.3 mt -64.93 124.74 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-N 110.136 -3.032 . . . . 0.0 109.322 165.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.586 ' C ' HD23 ' A' ' 88' ' ' LEU . 99.5 mttt -108.52 130.8 55.27 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 110.93 -2.85 . . . . 0.0 109.166 -178.197 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.767 HD21 HG22 ' A' ' 86' ' ' ILE . 4.7 mt -120.88 149.31 42.79 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 114.357 -1.292 . . . . 0.0 110.477 -172.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -114.77 131.46 56.79 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 109.48 -3.509 . . . . 0.0 109.807 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.406 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 5.6 p -125.86 123.84 65.08 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 114.092 -1.413 . . . . 0.0 109.053 179.568 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.91 152.19 20.66 Favored Glycine 0 C--N 1.348 1.229 0 CA-C-N 113.877 -1.51 . . . . 0.0 112.814 -174.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 105.51 -122.37 7.17 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.887 -2.157 . . . . 0.0 112.076 164.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.41 71.93 3.77 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.374 1.083 . . . . 0.0 109.154 -175.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.447 HG13 ' H ' ' A' ' 95' ' ' VAL . 1.2 pt -86.25 -78.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.502 0 CA-C-N 112.09 -2.323 . . . . 0.0 107.497 -172.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.447 ' H ' HG13 ' A' ' 94' ' ' ILE . 3.4 t -108.31 5.03 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 113.386 -1.733 . . . . 0.0 112.835 -177.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.4 t -53.86 104.25 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 112.33 -2.214 . . . . 0.0 110.98 -167.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.85 68.57 0.02 OUTLIER Glycine 0 C--N 1.351 1.373 0 CA-C-N 112.123 -2.308 . . . . 0.0 109.32 -174.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.26 42.35 15.25 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 112.648 -1.776 . . . . 0.0 111.503 178.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -151.46 116.69 5.3 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.162 -1.835 . . . . 0.0 108.032 -176.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -134.08 160.65 37.12 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 112.914 -1.948 . . . . 0.0 108.691 -175.02 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.433 4.4 m-90 10.21 -67.61 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 130.115 3.366 . . . . 0.0 118.815 176.289 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -47.96 -50.0 12.7 Favored 'Trans proline' 0 CA--C 1.552 1.41 0 N-CA-C 115.123 1.163 . . . . 0.0 115.123 173.665 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.8 -48.38 66.45 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.468 -1.697 . . . . 0.0 111.517 174.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.8 t -67.43 -59.08 4.2 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 113.182 -1.826 . . . . 0.0 111.166 -167.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.47 -27.97 69.35 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 114.803 -1.09 . . . . 0.0 112.75 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -58.52 -38.02 76.85 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 117.784 -1.567 . . . . 0.0 111.461 173.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -69.99 -53.35 18.07 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 114.81 -1.086 . . . . 0.0 111.372 -179.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -72.36 -54.98 7.86 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 111.721 -167.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -63.34 -28.67 70.16 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 112.919 -1.946 . . . . 0.0 113.6 177.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.41 -34.85 76.06 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 118.59 -1.244 . . . . 0.0 112.643 175.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 28.6 mmt -65.43 -29.94 70.68 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 119.022 -1.071 . . . . 0.0 112.118 173.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 111.0 10.76 20.22 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 113.701 -1.591 . . . . 0.0 111.544 176.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -81.16 146.56 30.47 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.084 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -65.24 -72.86 0.14 Allowed 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -158.174 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 90.1 mtt-85 -144.26 149.18 35.9 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.118 0.886 . . . . 0.0 110.181 -162.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.23 137.57 55.33 Favored 'Isoleucine or valine' 0 C--N 1.361 1.074 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.072 -175.685 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -118.63 146.97 41.08 Favored Pre-proline 0 C--N 1.356 0.872 0 CA-C-N 112.05 -2.341 . . . . 0.0 111.828 -177.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -68.69 178.17 4.16 Favored 'Trans proline' 0 C--N 1.368 1.584 0 C-N-CA 121.697 1.598 . . . . 0.0 113.437 170.368 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.44 122.42 2.79 Favored 'Trans proline' 0 C--N 1.361 1.219 0 C-N-CA 122.238 1.958 . . . . 0.0 109.641 161.718 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.5 56.53 2.0 Allowed Glycine 0 C--N 1.349 1.3 0 CA-C-N 113.2 -1.818 . . . . 0.0 110.741 -179.019 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.85 137.05 37.98 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 112.104 -2.048 . . . . 0.0 107.851 179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.5 p -60.33 116.97 20.07 Favored Pre-proline 0 C--N 1.351 0.662 0 O-C-N 125.443 1.715 . . . . 0.0 107.602 163.285 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -64.95 -9.72 22.55 Favored 'Trans proline' 0 C--N 1.365 1.439 0 O-C-N 122.671 0.827 . . . . 0.0 114.129 179.33 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -49.02 -37.18 19.8 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 125.251 1.595 . . . . 0.0 112.459 169.239 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.78 -32.66 52.66 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 113.997 -1.456 . . . . 0.0 112.708 -177.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.1 m -79.3 -34.21 42.61 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 126.001 2.063 . . . . 0.0 109.336 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.416 ' HA ' ' HG2' ' A' ' 130' ' ' MET . 70.9 mt -75.24 -39.41 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-N 111.236 -2.711 . . . . 0.0 109.945 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.41 -30.99 63.61 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 113.286 -1.779 . . . . 0.0 111.378 174.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -64.11 -55.16 23.97 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 116.406 -2.118 . . . . 0.0 113.303 170.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 127' ' ' ILE . 19.1 ptp -64.84 -28.97 69.92 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 124.096 0.872 . . . . 0.0 110.964 -174.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -67.62 -57.12 6.97 Favored 'General case' 0 C--N 1.35 0.619 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.795 177.722 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -66.55 -57.17 7.83 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 117.506 -1.678 . . . . 0.0 114.213 -177.104 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -59.36 -34.55 54.57 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.793 0 CA-C-N 112.069 -2.332 . . . . 0.0 113.881 -170.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.453 HD11 HD22 ' A' ' 57' ' ' LEU . 36.1 mt -89.31 -18.61 26.61 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 124.131 0.894 . . . . 0.0 111.127 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.11 78.72 1.31 Allowed Glycine 0 C--N 1.353 1.498 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.068 178.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.2 t -148.69 162.57 5.36 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 112.33 -1.935 . . . . 0.0 107.017 -173.118 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 CA--C 1.543 0.683 0 CA-C-N 113.725 -1.579 . . . . 0.0 109.483 176.244 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.711 0.767 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -75.53 -53.21 9.0 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 112.984 -1.916 . . . . 0.0 109.672 178.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.07 165.42 25.74 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.912 177.055 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' HG2' HD13 ' A' ' 134' ' ' LEU . 11.4 mptt -96.04 109.89 22.22 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 113.15 -1.841 . . . . 0.0 108.068 167.071 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.406 HG22 ' HB2' ' A' ' 55' ' ' ALA . 88.0 m -87.19 140.17 29.82 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 112.831 -1.986 . . . . 0.0 106.922 170.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.0 149.32 30.36 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.915 0 C-N-CA 129.952 3.301 . . . . 0.0 105.003 176.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.695 HG13 HD11 ' A' ' 37' ' ' ILE 0.281 2.4 t -123.88 136.75 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.01 1 CA-C-N 108.163 -4.108 . . . . 0.0 104.12 177.52 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.12 128.22 37.65 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 115.643 -2.423 . . . . 0.0 105.639 155.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HB ' ' A' ' 37' ' ' ILE . . . -124.32 145.27 15.79 Favored Glycine 0 C--N 1.351 1.384 0 CA-C-N 112.637 -2.074 . . . . 0.0 108.259 -177.251 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -97.41 120.88 47.32 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 117.774 -1.571 . . . . 0.0 107.41 -177.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.1 tt -98.88 144.0 12.42 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 CA-C-N 110.696 -2.956 . . . . 0.0 110.666 -156.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.55 -66.67 0.23 Allowed Glycine 0 C--N 1.349 1.289 0 CA-C-N 112.914 -1.948 . . . . 0.0 111.498 165.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.0 p -163.33 -173.08 3.21 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.284 -1.958 . . . . 0.0 109.222 -162.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.4 t0 77.91 169.2 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-N 113.042 -1.89 . . . . 0.0 110.917 167.515 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.5 p -144.05 50.32 1.34 Allowed 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.711 -1.586 . . . . 0.0 109.852 -177.264 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -117.05 -59.95 1.9 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 113.045 -1.889 . . . . 0.0 109.384 178.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 66.45 26.9 9.97 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 113.264 -1.789 . . . . 0.0 111.414 -172.179 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.03 120.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.353 0.76 0 CA-C-N 114.036 -1.438 . . . . 0.0 111.169 -168.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.62 24.55 76.62 Favored Glycine 0 CA--C 1.538 1.498 0 CA-C-N 112.632 -2.076 . . . . 0.0 112.573 -179.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -151.77 38.82 0.61 Allowed 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.697 -1.251 . . . . 0.0 108.639 -179.466 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 tmmm? -165.86 -45.73 0.03 OUTLIER 'General case' 0 C--N 1.346 0.415 0 CA-C-N 111.844 -2.435 . . . . 0.0 106.926 -169.144 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.441 HG23 ' H ' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -74.31 -33.21 33.46 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 CA-C-N 111.374 -2.648 . . . . 0.0 107.383 166.513 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.74 56.28 3.9 Favored 'General case' 0 C--N 1.361 1.086 0 CA-C-N 112.875 -1.966 . . . . 0.0 109.711 170.447 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.32 57.66 1.32 Allowed 'General case' 0 C--N 1.349 0.547 0 CA-C-N 112.997 -1.91 . . . . 0.0 106.184 164.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -139.8 -50.77 0.5 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 112.912 -1.949 . . . . 0.0 110.096 -168.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.6 t -84.61 -24.34 29.18 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 125.444 1.715 . . . . 0.0 111.096 -175.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -74.07 -43.15 58.81 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.959 -1.473 . . . . 0.0 108.81 176.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -42.65 97.72 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.68 -2.054 . . . . 0.0 109.868 175.142 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -89.27 38.3 0.89 Allowed 'General case' 0 C--N 1.356 0.876 0 CA-C-N 112.734 -2.03 . . . . 0.0 110.884 176.481 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -133.77 22.59 3.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.899 -1.501 . . . . 0.0 108.231 165.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.62 33.81 88.23 Favored Glycine 0 C--N 1.355 1.622 0 CA-C-N 112.788 -2.006 . . . . 0.0 112.844 177.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.428 ' HB3' ' CG2' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -107.08 148.98 28.11 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.207 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -79.82 104.79 10.64 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 168.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 32' ' ' PHE . 59.6 t -122.54 131.51 73.07 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 113.188 -1.824 . . . . 0.0 107.878 -172.19 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.08 110.86 24.84 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 CA-C-N 112.155 -2.293 . . . . 0.0 107.762 -168.426 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -86.65 111.48 20.7 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.304 -1.771 . . . . 0.0 108.685 -178.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.695 HD11 HG13 ' A' ' 7' ' ' VAL . 2.9 mm -77.86 -39.96 26.6 Favored 'Isoleucine or valine' 0 C--N 1.348 0.52 0 CA-C-N 113.07 -1.877 . . . . 0.0 109.252 178.591 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.88 175.78 51.15 Favored Glycine 0 C--N 1.354 1.574 0 CA-C-N 112.636 -2.074 . . . . 0.0 110.458 -174.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -80.99 162.92 3.48 Favored 'Isoleucine or valine' 0 C--N 1.349 0.564 0 CA-C-N 112.628 -1.786 . . . . 0.0 110.716 -175.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 tt 71.27 77.94 0.17 Allowed 'General case' 0 C--N 1.349 0.563 0 CA-C-N 112.157 -2.292 . . . . 0.0 109.37 173.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 p 152.23 152.04 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 109.758 -3.383 . . . . 0.0 104.471 -161.107 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 m -150.28 -150.87 0.37 Allowed 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 114.073 -1.421 . . . . 0.0 108.334 -169.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -47.96 -48.76 32.07 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 125.226 1.41 . . . . 0.0 113.914 -169.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -65.74 -27.58 68.41 Favored 'General case' 0 CA--C 1.543 0.704 0 O-C-N 124.914 1.384 . . . . 0.0 112.176 -173.567 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -84.09 -35.27 23.85 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.776 -177.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' CD1' HG21 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -76.58 -34.39 58.44 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-O 122.953 1.359 . . . . 0.0 113.162 -177.092 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.5 mt -49.87 -46.33 22.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 110.099 -3.228 . . . . 0.0 111.792 156.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -71.94 -28.78 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 124.784 1.303 . . . . 0.0 111.362 -172.263 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.88 61.82 Favored 'General case' 0 C--O 1.213 -0.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.358 169.771 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.76 -30.2 65.32 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.673 -2.011 . . . . 0.0 113.413 168.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -68.51 -42.11 83.52 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 118.733 -1.187 . . . . 0.0 110.035 172.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -77.05 -50.39 13.19 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 114.002 -1.454 . . . . 0.0 112.917 -168.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 52.7 p -95.31 -28.76 14.83 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 125.59 1.807 . . . . 0.0 112.775 -171.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.261 56.4 mttp 92.58 57.46 0.0 OUTLIER 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 112.13 -2.304 . . . . 0.0 109.976 169.007 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -76.12 123.62 26.12 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 109.738 -3.392 . . . . 0.0 111.214 -172.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.62 -17.65 50.63 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 125.663 1.852 . . . . 0.0 110.111 170.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD22 HD11 ' A' ' 134' ' ' LEU . 2.7 pt? -140.46 144.74 36.24 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 123.144 1.45 . . . . 0.0 111.623 173.181 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.513 ' HB ' HD22 ' A' ' 88' ' ' LEU . 18.9 mt -126.74 122.11 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 110.745 -2.934 . . . . 0.0 107.317 179.718 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 37.1 t -109.18 141.29 41.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.915 -2.402 . . . . 0.0 108.377 178.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.552 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.8 OUTLIER -117.41 121.88 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-N 110.925 -2.852 . . . . 0.0 105.352 173.435 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.24 128.72 44.84 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 112.083 -2.326 . . . . 0.0 106.363 -174.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.6 m -124.17 138.37 54.42 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 113.1 -1.864 . . . . 0.0 108.966 -162.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' HB2' ' CE2' ' A' ' 64' ' ' TYR . 77.2 mt -124.18 -27.47 3.83 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 111.849 -2.432 . . . . 0.0 110.616 -168.234 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -142.11 176.98 8.54 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 -164.685 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -85.11 43.39 3.25 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 113.488 -1.687 . . . . 0.0 111.643 175.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -146.53 -1.41 0.71 Allowed 'General case' 0 C--N 1.359 1.015 0 C-N-CA 118.641 -1.224 . . . . 0.0 112.665 176.601 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -73.43 -45.49 29.66 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 117.382 -2.342 . . . . 0.0 110.728 -173.139 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -80.7 -27.73 36.91 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 111.035 -2.583 . . . . 0.0 114.645 178.856 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.8 mm -63.75 -35.16 72.04 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.845 0 O-C-N 124.952 1.407 . . . . 0.0 110.005 172.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -77.03 -29.94 55.5 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 113.281 -1.782 . . . . 0.0 111.118 175.301 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.552 ' SG ' HG21 ' A' ' 60' ' ' VAL . 35.8 t -70.58 -25.63 63.15 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 124.567 1.167 . . . . 0.0 114.041 -174.117 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -50.01 117.62 2.43 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 124.248 0.967 . . . . 0.0 112.315 -170.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.98 37.55 32.77 Favored Glycine 0 C--N 1.354 1.541 0 CA-C-N 113.003 -1.908 . . . . 0.0 112.209 -176.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 -25.8 56.95 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 124.807 0.945 . . . . 0.0 110.113 152.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.09 -43.02 88.52 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 117.896 -1.521 . . . . 0.0 108.846 172.153 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.354 28.3 tt0 -77.72 -26.31 49.97 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 176.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.353 30.4 mmtp -76.61 -29.49 56.54 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 125.176 1.547 . . . . 0.0 113.402 166.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 36.4 t -77.38 -32.34 54.85 Favored 'General case' 0 C--O 1.219 -0.501 0 O-C-N 125.069 1.481 . . . . 0.0 111.877 174.561 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.98 -34.14 51.03 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 110.852 -2.885 . . . . 0.0 111.06 173.796 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.299 31.7 mt-10 -73.29 -29.79 62.96 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 111.681 -2.509 . . . . 0.0 112.744 174.922 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.84 1.54 10.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 113.442 -1.708 . . . . 0.0 112.478 -177.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.95 38.29 36.2 Favored Glycine 0 C--N 1.354 1.529 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.4 mt -141.49 34.55 1.65 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 111.596 -2.302 . . . . 0.0 109.091 -169.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.8 121.63 24.34 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-N 113.902 -1.499 . . . . 0.0 110.108 177.681 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 147.47 -28.53 1.49 Allowed Glycine 0 C--N 1.351 1.375 0 N-CA-C 107.597 -2.201 . . . . 0.0 107.597 -170.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.0 125.8 22.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.796 0 CA-C-N 111.796 -2.202 . . . . 0.0 110.984 170.688 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -87.91 138.6 31.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 109.773 -3.376 . . . . 0.0 108.277 164.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.513 HD22 ' HB ' ' A' ' 58' ' ' ILE . 14.3 mt -114.04 137.15 52.1 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 123.462 1.601 . . . . 0.0 112.015 -174.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -107.9 146.8 31.86 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 110.442 -3.072 . . . . 0.0 108.419 173.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -136.28 123.77 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 111.497 -2.592 . . . . 0.0 106.218 175.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.77 149.43 20.61 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 125.022 1.451 . . . . 0.0 112.914 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.7 -143.8 15.8 Favored Glycine 0 C--N 1.355 1.589 0 CA-C-N 111.913 -2.143 . . . . 0.0 111.613 166.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -81.03 81.24 7.33 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 112.697 -1.751 . . . . 0.0 108.086 173.454 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.9 pt -78.13 -50.02 20.3 Favored 'Isoleucine or valine' 0 C--N 1.344 0.366 0 CA-C-N 110.953 -2.84 . . . . 0.0 110.359 -170.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -127.06 20.52 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 CA-C-N 111.281 -2.69 . . . . 0.0 109.162 173.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 p 52.44 67.55 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 110.995 -2.821 . . . . 0.0 113.175 172.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 62.72 39.24 97.7 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-N 112.439 -2.164 . . . . 0.0 112.075 177.176 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.4 169.03 24.69 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 113.05 -1.575 . . . . 0.0 108.802 -178.357 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 57.55 115.52 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 111.872 -2.422 . . . . 0.0 109.75 -160.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.6 m120 -88.84 115.13 26.16 Favored 'General case' 0 C--N 1.348 0.515 0 CA-C-N 113.749 -1.569 . . . . 0.0 110.144 -171.562 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.415 ' HE3' ' H ' ' A' ' 101' ' ' TRP 0.463 1.3 m-90 11.23 -69.51 0.0 OUTLIER Pre-proline 0 C--N 1.353 0.746 0 N-CA-C 120.247 3.425 . . . . 0.0 120.247 172.193 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -51.89 -28.27 30.74 Favored 'Trans proline' 0 C--N 1.363 1.31 0 N-CA-C 116.097 1.537 . . . . 0.0 116.097 178.488 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -80.06 -42.52 23.55 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 113.552 -1.658 . . . . 0.0 111.55 175.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.2 t -64.71 -54.96 23.87 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 114.161 -1.382 . . . . 0.0 110.947 -174.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.61 -27.96 61.56 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 113.842 -1.526 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -60.56 -39.85 89.48 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 118.61 -1.236 . . . . 0.0 111.816 169.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -73.31 -53.15 11.53 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.657 -1.156 . . . . 0.0 111.561 -173.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -74.3 -43.77 55.42 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 113.719 -1.582 . . . . 0.0 111.137 -169.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -69.42 -28.71 66.37 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.747 -1.57 . . . . 0.0 111.918 179.747 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.73 71.57 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 124.192 0.933 . . . . 0.0 112.005 174.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.32 -62.48 1.51 Allowed 'General case' 0 C--N 1.357 0.919 0 C-N-CA 118.703 -1.199 . . . . 0.0 109.13 167.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 148.39 37.93 0.04 OUTLIER Glycine 0 C--N 1.351 1.361 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.8 173.687 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -81.18 146.08 30.68 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 113.838 -1.181 . . . . 0.0 108.418 169.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.51 -72.71 0.18 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 113.129 -1.85 . . . . 0.0 110.812 -178.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -145.1 156.2 43.76 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 124.293 0.996 . . . . 0.0 111.305 -179.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 60.1 t -113.67 115.98 51.28 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-N 112.321 -2.218 . . . . 0.0 110.082 -177.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -86.48 139.0 33.68 Favored Pre-proline 0 C--N 1.357 0.928 0 O-C-N 124.559 1.162 . . . . 0.0 110.801 167.613 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo -61.89 -179.34 0.4 Allowed 'Trans proline' 0 C--N 1.367 1.532 0 C-N-CA 122.062 1.841 . . . . 0.0 114.729 173.063 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -79.25 121.78 4.95 Favored 'Trans proline' 0 C--N 1.362 1.251 0 C-N-CA 121.445 1.43 . . . . 0.0 110.744 166.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.91 53.35 2.56 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 113.021 -1.899 . . . . 0.0 111.307 178.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.03 137.46 40.28 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 112.634 -1.783 . . . . 0.0 109.217 178.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.98 160.03 0.7 Allowed Pre-proline 0 CA--C 1.551 0.983 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.802 163.015 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.16 -18.61 8.57 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 121.064 1.176 . . . . 0.0 113.07 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -71.52 -29.66 65.04 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 114.175 -1.375 . . . . 0.0 111.507 -169.573 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.2 m -67.57 -37.12 82.17 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 113.622 -1.626 . . . . 0.0 112.857 176.69 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.3 m -79.67 -32.14 41.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 126.855 2.597 . . . . 0.0 108.721 -173.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 71.1 mt -75.21 -39.19 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 112.463 -2.153 . . . . 0.0 110.364 178.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.13 -30.94 63.99 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.443 174.055 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 125' ' ' THR . 29.6 t0 -59.2 -55.36 35.96 Favored 'General case' 0 CA--C 1.555 1.161 0 CA-C-N 113.069 -1.878 . . . . 0.0 112.276 170.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 9.7 ptp -70.66 -28.81 65.07 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 123.897 0.748 . . . . 0.0 112.119 -174.53 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -65.37 -56.46 12.46 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.766 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -57.34 -43.5 83.47 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 113.776 -1.556 . . . . 0.0 114.165 -179.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.8 t -62.66 -47.15 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 113.763 -1.562 . . . . 0.0 112.079 179.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.442 HD11 HD22 ' A' ' 57' ' ' LEU . 33.6 mt -93.41 11.43 28.41 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 124.58 1.175 . . . . 0.0 112.329 -168.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 71.29 65.8 2.34 Favored Glycine 0 C--N 1.354 1.535 0 O-C-N 124.223 0.952 . . . . 0.0 111.65 176.084 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -149.27 155.4 8.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.53 0 CA-C-N 112.442 -1.879 . . . . 0.0 107.408 -174.541 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 . . . . . 0 CA--C 1.542 0.662 0 CA-C-N 112.823 -1.99 . . . . 0.0 109.145 178.061 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.688 0.756 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -90.43 89.2 7.48 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 113.033 -1.894 . . . . 0.0 109.012 -178.603 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -105.73 165.27 11.29 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.575 -2.102 . . . . 0.0 112.15 -170.572 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -111.94 110.02 20.12 Favored 'General case' 0 C--N 1.346 0.424 0 CA-C-N 108.898 -3.774 . . . . 0.0 106.414 159.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.453 HG21 ' HB ' ' A' ' 53' ' ' THR . 93.6 m -96.26 115.69 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 112.178 -2.283 . . . . 0.0 107.526 -176.464 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.523 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -106.03 137.76 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.307 0 CA-C-N 112.177 -2.283 . . . . 0.0 106.355 171.824 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.279 0.9 OUTLIER -130.17 126.45 61.68 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.786 1 CA-C-N 108.185 -4.098 . . . . 0.0 104.023 -164.776 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.67 129.46 38.83 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 117.299 -1.76 . . . . 0.0 111.084 177.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.45 145.27 16.01 Favored Glycine 0 C--N 1.352 1.425 0 CA-C-N 112.992 -1.913 . . . . 0.0 108.564 165.032 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -97.82 120.64 47.42 Favored 'Isoleucine or valine' 0 C--N 1.351 0.64 0 N-CA-C 106.637 -1.616 . . . . 0.0 106.637 170.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -96.79 143.88 11.53 Favored 'Isoleucine or valine' 0 C--N 1.345 0.381 0 CA-C-N 112.848 -1.978 . . . . 0.0 108.723 -166.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.97 123.29 5.15 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 111.476 -2.602 . . . . 0.0 109.284 -174.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 t -71.92 160.78 31.96 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 112.288 -1.956 . . . . 0.0 112.2 -171.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 67.46 147.26 0.05 OUTLIER 'General case' 0 C--N 1.355 0.83 0 CA-C-N 111.749 -2.478 . . . . 0.0 111.741 179.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.2 t 81.46 -1.06 1.66 Allowed 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 111.658 -2.519 . . . . 0.0 112.502 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 57.2 m80 64.57 -115.62 0.38 Allowed 'General case' 0 C--N 1.357 0.915 0 CA-C-N 114.557 -1.202 . . . . 0.0 112.356 164.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.88 35.64 1.38 Allowed 'General case' 0 C--N 1.354 0.793 0 O-C-N 124.873 1.358 . . . . 0.0 111.51 -171.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.5 115.56 7.06 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 CA-C-N 114.364 -1.289 . . . . 0.0 109.729 178.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.68 48.56 66.24 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.943 -174.062 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -164.53 40.49 0.08 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.571 -176.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -118.96 -51.21 2.36 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 112.663 -2.062 . . . . 0.0 108.29 -178.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tp -104.63 30.08 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 CA-C-N 112.669 -2.06 . . . . 0.0 110.909 174.195 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.4 mt -93.66 43.08 1.11 Allowed 'General case' 0 C--N 1.357 0.897 0 CA-C-N 113.227 -1.806 . . . . 0.0 108.329 157.028 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -171.26 170.06 6.14 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 111.958 -2.383 . . . . 0.0 105.471 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.2 m80 62.09 32.8 17.38 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.033 -1.44 . . . . 0.0 110.815 -174.039 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.3 p -152.74 -54.87 0.12 Allowed 'General case' 0 C--N 1.349 0.546 0 CA-C-N 112.465 -2.152 . . . . 0.0 107.504 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -68.71 -48.13 64.64 Favored 'General case' 0 C--N 1.348 0.506 0 CA-C-N 112.099 -2.319 . . . . 0.0 109.339 177.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.2 t -75.74 -34.39 60.31 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 112.054 -2.339 . . . . 0.0 109.928 -174.096 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -80.93 20.45 0.78 Allowed 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 110.855 -2.884 . . . . 0.0 111.953 168.735 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -123.64 23.37 8.83 Favored 'General case' 0 C--N 1.355 0.845 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 163.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.73 38.89 93.46 Favored Glycine 0 C--N 1.353 1.513 0 CA-C-N 112.521 -2.127 . . . . 0.0 112.885 177.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.19 155.8 17.55 Favored 'General case' 0 C--N 1.362 1.135 0 C-N-CA 118.013 -1.475 . . . . 0.0 109.08 173.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -78.91 104.84 9.81 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-N 111.934 -2.394 . . . . 0.0 104.992 161.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.57 108.8 22.36 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 113.521 -1.672 . . . . 0.0 107.555 -173.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.53 111.47 35.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 CA-C-N 110.667 -2.969 . . . . 0.0 107.235 179.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.75 107.18 17.49 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 111.976 -2.375 . . . . 0.0 106.409 177.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.87 -24.6 28.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.763 0 CA-C-N 113.461 -1.699 . . . . 0.0 109.248 178.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.42 -124.55 7.48 Favored Glycine 0 C--N 1.353 1.479 0 CA-C-N 112.118 -2.31 . . . . 0.0 109.022 170.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 m -97.06 170.31 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-N 111.53 -2.335 . . . . 0.0 110.421 -171.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -17.61 130.24 0.01 OUTLIER 'General case' 0 C--N 1.347 0.478 0 CA-C-N 110.02 -3.264 . . . . 0.0 115.1 164.023 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.7 m -161.69 -62.19 0.05 Allowed 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 110.79 -2.914 . . . . 0.0 106.601 -179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.3 p 138.04 167.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.905 0 O-C-N 126.582 2.426 . . . . 0.0 108.089 -177.461 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -47.72 -50.24 25.75 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 112.093 -2.321 . . . . 0.0 112.861 176.455 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -62.71 -20.74 65.19 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 124.324 1.015 . . . . 0.0 113.471 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -88.29 -29.6 20.26 Favored 'General case' 0 C--N 1.353 0.751 0 O-C-N 124.171 0.92 . . . . 0.0 111.395 177.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.34 -39.16 54.71 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-O 123.247 1.499 . . . . 0.0 111.607 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -49.75 -38.48 13.61 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-N 109.857 -3.338 . . . . 0.0 111.859 159.159 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -67.88 -28.81 67.84 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.319 1.012 . . . . 0.0 111.697 -177.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.74 -28.9 62.92 Favored 'General case' 0 C--O 1.213 -0.818 0 O-C-N 124.009 0.818 . . . . 0.0 110.613 167.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.9 -30.15 67.52 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 116.297 -2.161 . . . . 0.0 113.76 167.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -69.84 -38.93 77.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 119.158 -1.017 . . . . 0.0 109.759 174.668 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -77.02 -50.39 13.22 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 114.01 -1.45 . . . . 0.0 112.022 -169.763 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HB ' HG21 ' A' ' 5' ' ' THR . 16.5 p -96.78 -29.27 13.85 Favored 'General case' 0 C--N 1.346 0.448 0 O-C-N 125.525 1.766 . . . . 0.0 114.001 -173.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 86.53 75.63 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.188 0 O-C-N 125.853 1.971 . . . . 0.0 109.392 176.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.4 ' O ' HD11 ' A' ' 86' ' ' ILE . . . -65.09 146.99 54.27 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 110.066 -3.243 . . . . 0.0 111.025 -175.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -33.6 15.87 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.552 154.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.523 HD21 HG22 ' A' ' 6' ' ' ILE 0.274 2.7 pt? -140.57 144.74 36.02 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 123.152 1.454 . . . . 0.0 112.258 -176.557 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.497 ' HB ' HD22 ' A' ' 88' ' ' LEU . 35.5 mt -126.29 132.8 70.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 110.472 -3.058 . . . . 0.0 107.78 -179.579 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 m -114.93 140.72 48.78 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 112.314 -2.221 . . . . 0.0 110.078 -176.428 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.57 121.85 46.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.35 0 CA-C-N 110.543 -3.026 . . . . 0.0 105.929 -179.243 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.08 113.0 23.45 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.484 -1.689 . . . . 0.0 108.83 -171.337 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.0 m -111.34 122.58 48.22 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-N 113.497 -1.683 . . . . 0.0 110.018 -170.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -108.09 26.73 10.03 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 113.049 -1.887 . . . . 0.0 109.956 -175.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -152.12 178.91 8.97 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 114.672 -1.149 . . . . 0.0 107.966 -178.457 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -88.51 32.52 4.45 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.12 171.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.3 13.57 11.13 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 125.001 1.06 . . . . 0.0 109.431 178.702 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -78.49 -18.97 74.84 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 114.062 -1.426 . . . . 0.0 112.821 -176.267 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.38 -27.93 60.88 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 113.269 -1.465 . . . . 0.0 111.509 176.675 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.0 mt -85.48 -44.08 16.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 113.164 -1.835 . . . . 0.0 109.87 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.06 -29.93 55.33 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-N 113.177 -1.828 . . . . 0.0 112.77 -172.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.432 ' CB ' HG21 ' A' ' 90' ' ' VAL . 16.3 p -78.11 -39.04 42.55 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.364 1.04 . . . . 0.0 110.883 175.178 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -63.61 125.07 23.08 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-N 113.892 -1.504 . . . . 0.0 111.664 -172.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.11 11.76 72.24 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 112.321 -2.218 . . . . 0.0 112.638 -179.36 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.475 ' O ' ' SG ' ' A' ' 78' ' ' CYS . 32.0 tp -75.55 -30.23 59.65 Favored 'General case' 0 C--O 1.217 -0.633 0 O-C-N 124.463 0.743 . . . . 0.0 110.139 154.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -51.63 -54.26 29.81 Favored 'General case' 0 C--N 1.345 0.405 0 O-C-N 124.502 1.126 . . . . 0.0 110.548 166.831 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.406 26.8 tt0 -77.47 -26.13 51.12 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 179.332 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.322 28.3 mmtp -76.24 -29.38 57.5 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.924 1.39 . . . . 0.0 113.5 169.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.475 ' SG ' ' O ' ' A' ' 74' ' ' LEU . 78.8 m -77.31 -34.65 55.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 123.332 1.539 . . . . 0.0 111.538 172.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.18 -44.21 84.67 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 110.094 -3.23 . . . . 0.0 109.871 171.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.278 32.7 mt-10 -73.28 -29.66 62.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 109.747 -3.388 . . . . 0.0 112.76 -176.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.76 0.33 13.38 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 113.301 -1.772 . . . . 0.0 112.468 -177.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.96 34.06 48.71 Favored Glycine 0 C--N 1.354 1.565 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -178.017 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.2 mt -135.95 44.91 2.43 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 111.865 -2.168 . . . . 0.0 108.696 -171.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.92 123.14 31.72 Favored 'General case' 0 C--N 1.349 0.566 0 CA-C-N 112.647 -2.069 . . . . 0.0 109.442 179.195 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 140.87 -31.17 2.22 Favored Glycine 0 C--N 1.347 1.142 0 N-CA-C 107.309 -2.316 . . . . 0.0 107.309 -173.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.4 HD11 ' O ' ' A' ' 55' ' ' ALA . 1.2 mp -64.83 124.84 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 CA-C-N 111.407 -2.397 . . . . 0.0 110.851 169.25 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -88.1 143.73 26.9 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 108.84 -3.8 . . . . 0.0 108.19 169.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.497 HD22 ' HB ' ' A' ' 58' ' ' ILE . 36.4 mt -121.23 130.64 53.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.778 -169.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -107.86 137.01 46.61 Favored 'General case' 0 C--N 1.349 0.544 0 CA-C-N 110.546 -3.025 . . . . 0.0 107.308 175.336 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG21 ' CB ' ' A' ' 71' ' ' CYS . 7.5 p -136.18 123.91 34.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 112.658 -2.065 . . . . 0.0 107.78 176.687 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -138.34 152.05 21.77 Favored Glycine 0 C--N 1.349 1.266 0 CA-C-N 113.601 -1.636 . . . . 0.0 111.815 -179.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 145.99 -153.88 25.59 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 111.543 -2.328 . . . . 0.0 108.869 -178.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -97.04 60.69 1.72 Allowed 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.137 -1.531 . . . . 0.0 108.529 171.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.619 ' H ' HD13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -80.25 152.35 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 CA-C-N 112.08 -2.327 . . . . 0.0 106.934 -175.577 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.263 0.3 OUTLIER 81.06 174.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 CA-C-N 112.41 -2.177 . . . . 0.0 111.168 -172.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 10.4 p -91.97 22.91 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 109.354 -3.566 . . . . 0.0 111.871 -169.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 61.94 -169.74 12.2 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 113.031 -1.895 . . . . 0.0 111.397 -169.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? 57.96 29.14 17.21 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-N 112.743 -1.729 . . . . 0.0 112.634 174.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -156.44 99.58 1.91 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 112.825 -1.989 . . . . 0.0 107.428 -171.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -94.51 55.0 1.89 Allowed 'General case' 0 C--N 1.351 0.669 0 CA-C-N 113.27 -1.787 . . . . 0.0 109.598 -177.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.363 1.9 m-90 77.33 10.64 0.0 OUTLIER Pre-proline 0 CA--C 1.559 1.298 0 N-CA-C 120.522 3.527 . . . . 0.0 120.522 173.157 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -82.09 -52.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.376 1.975 0 CA-C-N 122.203 1.823 . . . . 0.0 111.311 164.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -80.16 -29.8 38.82 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 112.466 -2.152 . . . . 0.0 111.459 -173.118 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.4 t -67.18 -46.55 83.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.71 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.796 -174.639 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -73.55 -28.0 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 114.328 -1.305 . . . . 0.0 111.075 178.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.66 -43.15 97.99 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.33 176.048 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -75.49 -53.11 9.18 Favored 'General case' 0 C--N 1.35 0.615 0 CA-C-N 113.987 -1.46 . . . . 0.0 110.773 -175.158 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -64.93 -49.62 69.68 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 113.478 -1.692 . . . . 0.0 110.46 -169.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -69.29 -28.59 66.42 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.131 -2.304 . . . . 0.0 112.538 -178.398 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.71 -28.0 69.11 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.038 0.836 . . . . 0.0 112.471 172.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.8 mmt -65.58 -45.02 84.86 Favored 'General case' 0 C--N 1.356 0.884 0 O-C-N 124.314 1.009 . . . . 0.0 109.926 169.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 143.35 1.03 1.11 Allowed Glycine 0 CA--C 1.537 1.415 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.252 174.217 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -53.98 146.04 15.28 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.185 0.993 . . . . 0.0 111.604 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.3 -61.29 2.05 Favored 'General case' 0 C--N 1.349 0.583 0 CA-C-N 112.141 -2.299 . . . . 0.0 109.601 -174.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -145.07 150.16 36.34 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.161 -175.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 61.8 t -123.12 122.9 66.63 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.839 0 CA-C-N 111.97 -2.377 . . . . 0.0 108.812 179.171 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -92.27 116.77 67.07 Favored Pre-proline 0 C--N 1.357 0.929 0 O-C-N 124.474 1.109 . . . . 0.0 110.344 169.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -56.58 170.4 1.33 Allowed 'Trans proline' 0 C--N 1.368 1.553 0 C-N-CA 120.856 1.037 . . . . 0.0 113.941 168.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -73.05 118.92 5.76 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 120.667 0.911 . . . . 0.0 111.068 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 105.13 26.21 6.4 Favored Glycine 0 C--N 1.351 1.372 0 CA-C-N 112.84 -1.982 . . . . 0.0 112.393 178.508 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -89.01 137.06 32.66 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 122.316 1.055 . . . . 0.0 108.873 175.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.9 p -60.77 167.08 3.73 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 111.812 -2.449 . . . . 0.0 109.9 170.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -83.13 -13.2 9.1 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 120.597 0.864 . . . . 0.0 113.099 167.178 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -66.95 -29.85 69.82 Favored 'General case' 0 C--N 1.355 0.835 0 CA-C-O 121.6 0.714 . . . . 0.0 111.628 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.6 OUTLIER -70.14 -36.65 74.93 Favored 'General case' 0 CA--C 1.499 -0.993 0 CA-C-N 113.036 -1.893 . . . . 0.0 112.211 175.818 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.5 m -79.57 -31.03 41.84 Favored 'General case' 0 N--CA 1.443 -0.784 0 O-C-N 127.481 2.988 . . . . 0.0 109.478 -172.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 61.6 mt -75.12 -42.0 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 112.344 -2.207 . . . . 0.0 109.775 178.151 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.91 64.11 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 112.532 -2.122 . . . . 0.0 109.715 176.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 125' ' ' THR . 19.2 t0 -60.02 -55.25 36.33 Favored 'General case' 0 CA--C 1.557 1.237 0 CA-C-N 112.757 -2.02 . . . . 0.0 112.7 171.406 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.4 ptp -69.28 -28.93 66.72 Favored 'General case' 0 C--N 1.358 0.961 0 O-C-N 124.003 0.814 . . . . 0.0 111.977 -172.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -70.93 -57.09 4.92 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-N 114.21 -1.359 . . . . 0.0 109.661 177.022 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -56.18 -33.49 65.32 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.67 -46.5 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 CA-C-N 113.726 -1.579 . . . . 0.0 111.434 -179.148 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 44.0 mt -97.33 40.31 1.16 Allowed 'General case' 0 C--N 1.355 0.812 0 O-C-N 124.257 0.973 . . . . 0.0 112.021 -167.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.28 43.77 37.35 Favored Glycine 0 C--N 1.352 1.455 0 CA-C-N 114.326 -1.307 . . . . 0.0 112.744 171.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.33 -160.56 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -178.479 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.542 0.671 0 CA-C-N 114.374 -1.284 . . . . 0.0 109.381 171.559 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 CA--C 1.534 0.359 0 CA-C-O 121.563 0.696 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -78.83 157.19 28.43 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.281 -1.781 . . . . 0.0 110.058 179.264 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.95 165.34 11.27 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-N 111.778 -2.465 . . . . 0.0 108.222 178.092 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -94.67 109.72 21.62 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-N 113.216 -1.811 . . . . 0.0 107.44 171.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 53' ' ' THR . 29.7 m -96.32 134.76 39.04 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 112.445 -2.161 . . . . 0.0 107.346 171.418 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.516 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -110.15 122.64 65.05 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.009 0 N-CA-C 103.497 -2.779 . . . . 0.0 103.497 164.811 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . 0.277 1.5 t -101.38 124.91 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.932 0 CA-C-N 108.826 -3.806 . . . . 0.0 102.654 178.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -132.32 129.08 39.02 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 117.956 -1.498 . . . . 0.0 109.089 173.635 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.85 145.4 15.96 Favored Glycine 0 C--N 1.357 1.72 0 CA-C-N 111.859 -2.428 . . . . 0.0 109.523 175.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.91 119.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.362 1.142 0 C-N-CA 114.226 -2.99 . . . . 0.0 106.128 178.567 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 142.04 16.72 Favored 'Isoleucine or valine' 0 C--N 1.344 0.369 0 O-C-N 125.569 1.793 . . . . 0.0 110.173 -163.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 134.15 -105.96 0.59 Allowed Glycine 0 C--N 1.344 0.975 0 CA-C-N 109.953 -3.294 . . . . 0.0 109.95 178.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.8 p -168.02 -141.68 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 113.194 -1.503 . . . . 0.0 107.253 -175.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 68.83 168.99 0.29 Allowed 'General case' 0 C--N 1.354 0.775 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.28 169.397 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.2 t -98.14 52.99 1.06 Allowed 'General case' 0 C--N 1.351 0.654 0 CA-C-N 112.526 -2.125 . . . . 0.0 107.714 169.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -160.86 124.8 3.47 Favored 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.099 -2.319 . . . . 0.0 107.6 -169.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.18 85.14 1.45 Allowed 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.628 -1.624 . . . . 0.0 109.565 -175.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.15 138.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-N 112.755 -2.021 . . . . 0.0 109.384 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.69 157.51 1.19 Allowed Glycine 0 C--N 1.349 1.287 0 CA-C-N 111.826 -2.443 . . . . 0.0 112.075 173.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 58.94 26.97 15.63 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 111.962 -2.119 . . . . 0.0 113.431 165.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.07 -41.39 0.01 OUTLIER 'General case' 0 C--N 1.347 0.461 0 CA-C-N 113.906 -1.497 . . . . 0.0 107.819 179.042 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.2 tp -89.0 -23.08 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 CA-C-N 112.409 -2.178 . . . . 0.0 109.914 163.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tt -135.15 66.47 1.52 Allowed 'General case' 0 C--N 1.356 0.878 0 CA-C-N 114.05 -1.432 . . . . 0.0 108.073 173.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -102.27 -25.34 13.71 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.714 -2.039 . . . . 0.0 110.39 170.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -48.79 -38.26 21.5 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 125.996 2.06 . . . . 0.0 113.03 -172.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -61.41 -44.57 96.91 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 113.254 -1.794 . . . . 0.0 112.712 -178.57 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -73.23 -36.03 66.37 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 113.318 -1.765 . . . . 0.0 110.088 -177.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.25 -32.47 73.51 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 113.326 -1.761 . . . . 0.0 110.647 -179.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -103.48 22.29 14.52 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 112.712 -2.04 . . . . 0.0 110.94 176.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.02 2.06 53.12 Favored 'General case' 0 C--N 1.356 0.883 0 CA-C-N 114.523 -1.217 . . . . 0.0 109.147 166.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 75.63 26.12 66.02 Favored Glycine 0 C--N 1.355 1.595 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.229 -173.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -97.75 157.0 16.31 Favored 'General case' 0 C--N 1.364 1.229 0 C-N-CA 118.169 -1.412 . . . . 0.0 107.76 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -77.77 115.9 17.88 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 103.455 -2.794 . . . . 0.0 103.455 160.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.1 t -127.18 108.75 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 113.912 -1.495 . . . . 0.0 109.17 -177.082 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.7 t -94.71 110.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 111.392 -2.64 . . . . 0.0 107.826 178.034 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -86.98 98.02 11.03 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.107 173.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -73.55 -41.73 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.316 0 CA-C-N 112.462 -2.153 . . . . 0.0 107.736 167.256 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.92 -21.73 25.66 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 112.24 -2.255 . . . . 0.0 115.27 151.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.29 170.58 2.93 Favored 'Isoleucine or valine' 0 C--N 1.356 0.856 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -159.109 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' HG ' ' H ' ' A' ' 40' ' ' LEU . 14.8 mt -39.96 -157.69 0.0 OUTLIER 'General case' 0 C--N 1.362 1.147 1 C-N-CA 132.732 4.413 . . . . 0.0 115.009 -172.362 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 p -65.96 101.53 0.68 Allowed 'General case' 0 C--N 1.35 0.595 0 CA-C-N 114.014 -1.448 . . . . 0.0 110.583 177.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 p -178.83 65.45 0.01 OUTLIER 'General case' 0 C--N 1.353 0.757 0 CA-C-N 112.404 -2.18 . . . . 0.0 109.465 -171.439 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -61.28 -28.95 69.55 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 112.541 -2.118 . . . . 0.0 112.2 170.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.35 -28.5 69.74 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 125.177 1.548 . . . . 0.0 111.179 176.201 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -87.01 -26.68 23.63 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 113.734 -1.576 . . . . 0.0 111.18 -177.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.5 m-30 -76.39 -39.55 53.37 Favored 'General case' 0 C--N 1.362 1.143 0 CA-C-O 123.516 1.627 . . . . 0.0 111.857 176.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.7 mt -49.84 -40.3 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 109.588 -3.46 . . . . 0.0 111.409 161.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -72.38 -28.82 63.25 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 124.608 1.192 . . . . 0.0 111.688 -174.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.852 ' O ' HG22 ' A' ' 53' ' ' THR . . . -72.28 -28.6 63.21 Favored 'General case' 0 CA--C 1.5 -0.98 0 CA-C-O 117.071 -1.442 . . . . 0.0 111.483 167.672 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.35 -30.52 60.27 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 124.398 1.062 . . . . 0.0 112.919 170.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.69 -36.58 76.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 171.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -71.62 -50.87 26.76 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-N 113.735 -1.575 . . . . 0.0 111.277 -171.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 1.033 HG21 HG21 ' A' ' 5' ' ' THR . 1.1 t -91.07 -39.61 12.08 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 110.793 -2.912 . . . . 0.0 112.351 -168.452 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' N ' HG23 ' A' ' 53' ' ' THR . 7.1 mtmp? 85.89 77.67 0.02 OUTLIER 'General case' 0 C--N 1.351 0.661 0 CA-C-N 111.449 -2.614 . . . . 0.0 109.464 -164.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.15 140.84 58.23 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 112.226 -2.261 . . . . 0.0 110.504 -178.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.33 -30.03 17.71 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 114.187 -1.37 . . . . 0.0 110.002 156.275 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.516 HD21 HG22 ' A' ' 6' ' ' ILE 0.324 2.6 pt? -140.45 145.03 36.44 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 122.95 1.357 . . . . 0.0 112.963 177.697 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 46.0 mt -122.89 125.1 71.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 110.74 -2.936 . . . . 0.0 107.548 177.37 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 42.5 t -115.32 137.19 52.31 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 111.591 -2.549 . . . . 0.0 110.316 -175.293 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.47 121.82 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-N 110.457 -3.065 . . . . 0.0 106.526 178.318 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.9 t -115.01 112.73 23.11 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.725 1.266 . . . . 0.0 108.361 -174.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -109.31 135.23 50.72 Favored 'General case' 0 C--N 1.35 0.608 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.116 -155.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.83 72.04 0.07 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-N 113.457 -1.702 . . . . 0.0 111.043 176.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -156.24 20.48 0.36 Allowed 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 113.406 -1.725 . . . . 0.0 111.286 168.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.87 18.57 68.72 Favored Glycine 0 C--N 1.358 1.796 0 CA-C-N 114.075 -1.42 . . . . 0.0 114.053 173.284 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -148.86 42.4 0.96 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 123.048 1.404 . . . . 0.0 107.938 -171.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.51 -18.97 78.76 Favored Glycine 0 CA--C 1.535 1.32 0 CA-C-N 112.382 -2.19 . . . . 0.0 112.546 -174.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.459 ' CB ' HH22 ' A' ' 107' ' ' ARG . 13.4 pt-20 -79.1 -30.49 43.86 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.418 -0.891 . . . . 0.0 110.813 174.459 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.68 -44.27 79.48 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 112.8 -2.0 . . . . 0.0 110.687 -170.635 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -77.3 -56.66 4.36 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 117.063 -1.855 . . . . 0.0 110.807 172.062 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 59.4 m -71.59 -38.8 70.83 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 113.736 -1.574 . . . . 0.0 112.745 -150.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -66.66 117.44 8.83 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 122.34 1.067 . . . . 0.0 111.496 -173.337 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.541 ' H ' ' CE ' ' A' ' 111' ' ' MET . . . 103.02 20.69 10.95 Favored Glycine 0 C--N 1.351 1.41 0 CA-C-N 111.688 -2.505 . . . . 0.0 111.714 -176.018 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.53 -26.97 58.5 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.59 0.817 . . . . 0.0 111.199 161.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' H ' ' HE1' ' A' ' 111' ' ' MET . 17.9 tpp180 -56.49 -54.36 46.71 Favored 'General case' 0 C--N 1.349 0.546 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.562 168.844 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 80' ' ' GLU 0.376 24.5 mp0 -77.08 -26.07 53.03 Favored 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 116.993 2.219 . . . . 0.0 116.993 -177.919 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -76.26 -29.26 57.39 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 125.654 1.846 . . . . 0.0 113.166 169.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.0 t -77.13 -33.81 56.71 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 123.19 1.472 . . . . 0.0 111.356 174.105 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -72.77 -34.79 67.2 Favored 'General case' 0 N--CA 1.44 -0.959 0 CA-C-N 110.552 -3.022 . . . . 0.0 110.437 173.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 76' ' ' GLU 0.323 2.0 pt-20 -73.13 -29.92 63.24 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 111.724 -2.489 . . . . 0.0 112.205 177.251 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.65 1.5 10.07 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 112.109 -2.314 . . . . 0.0 112.497 -178.025 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.76 46.23 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 179.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 62.4 mt -140.71 43.48 1.84 Allowed 'General case' 0 C--N 1.348 0.516 0 CA-C-N 111.802 -2.199 . . . . 0.0 108.831 -171.132 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 112.09 18.29 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 113.318 -1.764 . . . . 0.0 109.089 170.064 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 156.01 -29.3 0.59 Allowed Glycine 0 C--N 1.345 1.049 0 CA-C-N 111.798 -2.455 . . . . 0.0 108.453 -170.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.409 HG21 HD12 ' A' ' 58' ' ' ILE . 1.7 mp -64.92 127.54 25.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 111.582 -2.309 . . . . 0.0 109.857 165.745 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -87.78 146.06 25.81 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 110.912 -2.858 . . . . 0.0 107.671 161.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 36.1 mt -125.25 133.8 52.55 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 122.545 1.164 . . . . 0.0 112.015 -170.717 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 m-30 -107.94 129.95 55.07 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 111.223 -2.717 . . . . 0.0 107.787 169.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.0 123.94 71.17 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 CA-C-N 113.142 -1.845 . . . . 0.0 106.716 167.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.58 152.33 20.64 Favored Glycine 0 C--N 1.339 0.735 0 CA-C-N 112.128 -2.305 . . . . 0.0 108.45 -171.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.22 -144.92 16.99 Favored Glycine 0 C--N 1.346 1.089 0 N-CA-C 108.805 -1.718 . . . . 0.0 108.805 177.866 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -79.92 -34.8 38.65 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.666 -1.767 . . . . 0.0 110.302 173.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.467 HD11 ' CH2' ' A' ' 101' ' ' TRP 0.266 2.7 pp 46.23 39.38 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.35 0.625 0 CA-C-N 111.836 -2.438 . . . . 0.0 112.524 178.961 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.702 HG22 ' H ' ' A' ' 96' ' ' VAL 0.261 12.4 p 58.21 -150.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.882 0 CA-C-N 111.502 -2.59 . . . . 0.0 108.038 173.655 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.702 ' H ' HG22 ' A' ' 95' ' ' VAL . 55.2 t -129.82 117.86 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 CA-C-N 111.111 -2.768 . . . . 0.0 106.519 153.339 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.57 ' H ' HG13 ' A' ' 104' ' ' VAL . . . -91.48 62.23 2.76 Favored Glycine 0 C--N 1.346 1.112 0 CA-C-N 112.292 -2.231 . . . . 0.0 109.958 175.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 73.25 122.04 0.04 OUTLIER 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.15 -2.025 . . . . 0.0 110.09 -175.24 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 72.94 -100.18 0.03 OUTLIER 'General case' 0 C--N 1.355 0.828 0 CA-C-N 113.594 -1.639 . . . . 0.0 112.234 172.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -177.08 147.48 0.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 112.769 -2.014 . . . . 0.0 106.669 -171.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.467 ' CH2' HD11 ' A' ' 94' ' ' ILE 0.49 1.2 m-90 24.93 -76.59 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.657 0 N-CA-C 119.438 3.125 . . . . 0.0 119.438 168.252 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -48.05 -43.99 29.16 Favored 'Trans proline' 0 C--N 1.363 1.331 0 N-CA-C 115.66 1.369 . . . . 0.0 115.66 176.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -80.19 -40.35 27.39 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 113.069 -1.878 . . . . 0.0 111.976 178.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.57 HG13 ' H ' ' A' ' 97' ' ' GLY . 67.9 t -68.73 -51.76 42.26 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.232 -171.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -61.0 -34.11 74.3 Favored 'General case' 0 C--N 1.348 0.543 0 O-C-N 124.882 1.364 . . . . 0.0 112.47 174.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -60.55 -37.18 80.4 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 118.735 -1.186 . . . . 0.0 111.522 175.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.459 HH22 ' CB ' ' A' ' 68' ' ' GLU . 57.4 ttp85 -78.11 -42.36 32.22 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 124.392 1.057 . . . . 0.0 112.175 -176.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -68.74 -53.94 19.0 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 114.011 -1.45 . . . . 0.0 111.46 -175.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -70.74 -32.05 69.09 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.68 -175.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.0 62.96 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 124.308 1.005 . . . . 0.0 112.096 -179.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.541 ' CE ' ' H ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -67.55 -33.53 75.24 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 118.937 -1.105 . . . . 0.0 110.184 175.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.13 -39.21 0.11 Allowed Glycine 0 C--N 1.355 1.638 0 C-N-CA 118.669 -1.729 . . . . 0.0 113.156 176.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -58.58 146.09 37.12 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.496 1.141 . . . . 0.0 112.391 -166.19 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -74.94 -49.26 20.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 112.267 -2.242 . . . . 0.0 109.821 178.62 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -145.06 148.83 34.11 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.818 -165.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.0 t -123.31 114.01 40.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.864 0 CA-C-N 112.959 -1.928 . . . . 0.0 109.896 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -89.88 116.77 67.16 Favored Pre-proline 0 C--N 1.36 1.048 0 O-C-N 124.263 0.977 . . . . 0.0 110.547 168.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -57.57 177.46 0.22 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 N-CA-C 116.462 1.678 . . . . 0.0 116.462 169.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -60.57 120.29 7.95 Favored 'Trans proline' 0 C--N 1.368 1.57 0 C-N-CA 121.614 1.542 . . . . 0.0 113.661 177.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.06 44.21 37.0 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 113.448 -1.705 . . . . 0.0 112.989 173.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -81.37 137.2 35.74 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.619 -1.29 . . . . 0.0 108.648 172.696 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.4 p -55.04 160.21 3.27 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 112.165 -2.289 . . . . 0.0 109.994 170.38 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.11 -11.97 9.64 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 O-C-N 122.85 0.921 . . . . 0.0 113.45 171.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -69.75 -29.92 67.38 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 124.056 0.847 . . . . 0.0 110.468 -176.341 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.467 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -69.95 -37.4 75.82 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-N 112.689 -2.05 . . . . 0.0 111.948 174.829 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 10.9 m -79.57 -33.06 42.05 Favored 'General case' 0 N--CA 1.444 -0.744 0 O-C-N 126.521 2.388 . . . . 0.0 109.158 -169.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 66.4 mt -75.12 -42.25 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 O-C-N 126.386 2.304 . . . . 0.0 109.885 -179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.22 -30.93 63.84 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 113.084 -1.871 . . . . 0.0 110.625 175.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 125' ' ' THR . 67.3 t0 -65.45 -48.54 72.36 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 112.75 -2.023 . . . . 0.0 112.651 171.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 11.6 ptp -68.52 -28.94 67.44 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 118.731 0.696 . . . . 0.0 112.472 179.785 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -68.17 -57.1 6.58 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 118.87 -1.132 . . . . 0.0 109.561 177.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.08 -37.71 77.74 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 113.922 -1.49 . . . . 0.0 114.514 -177.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -67.68 -47.05 81.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.833 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 43.3 mt -89.62 3.23 53.26 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 124.326 1.016 . . . . 0.0 111.987 -167.443 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 89.28 61.16 1.41 Allowed Glycine 0 C--N 1.354 1.561 0 O-C-N 124.214 0.946 . . . . 0.0 110.925 175.517 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.0 t -150.98 157.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.349 0.553 0 CA-C-N 112.227 -1.986 . . . . 0.0 107.292 -175.026 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 113.223 -1.808 . . . . 0.0 108.95 175.785 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 121.671 0.748 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.52 121.75 24.99 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 113.129 -1.85 . . . . 0.0 109.39 174.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -105.73 165.12 11.4 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.864 -1.971 . . . . 0.0 111.317 -174.379 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -114.88 135.09 54.58 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-N 109.597 -3.456 . . . . 0.0 108.207 -178.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.641 HG22 ' HB2' ' A' ' 55' ' ' ALA . 13.4 m -101.94 123.35 45.71 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 111.373 -2.649 . . . . 0.0 107.928 -178.388 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.408 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -122.01 147.21 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 129.896 3.278 . . . . 0.0 104.243 170.883 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.59 HG22 HG23 ' A' ' 35' ' ' VAL 0.282 2.3 t -130.14 130.98 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.826 0 CA-C-N 108.719 -3.855 . . . . 0.0 103.524 -174.362 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.33 129.15 39.11 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 116.859 -1.936 . . . . 0.0 109.761 166.801 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.89 145.83 16.11 Favored Glycine 0 C--N 1.35 1.361 0 CA-C-N 111.18 -2.736 . . . . 0.0 109.293 174.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 13' ' ' SER . 62.0 t -97.85 120.48 47.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.585 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.5 tt -109.22 136.12 46.08 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 125.24 1.588 . . . . 0.0 109.52 -168.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 68.48 63.95 3.31 Favored Glycine 0 C--N 1.35 1.316 0 CA-C-N 112.798 -2.001 . . . . 0.0 109.104 -175.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.444 ' CB ' HG12 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -156.58 47.66 0.45 Allowed 'General case' 0 C--N 1.346 0.427 0 CA-C-N 110.997 -2.602 . . . . 0.0 108.79 -157.374 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -77.16 82.69 3.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 112.174 -2.285 . . . . 0.0 110.056 -174.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.1 p 176.28 -69.0 0.01 OUTLIER 'General case' 0 C--N 1.346 0.427 0 CA-C-N 111.042 -2.799 . . . . 0.0 106.9 -174.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -174.34 174.44 2.81 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 113.128 -1.851 . . . . 0.0 108.122 -178.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.51 76.62 8.43 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 113.439 -1.709 . . . . 0.0 109.01 172.254 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.0 t -72.72 113.84 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.133 -169.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.77 -46.87 2.08 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 112.962 -1.926 . . . . 0.0 111.261 179.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -65.84 -21.88 66.5 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 113.08 -1.56 . . . . 0.0 112.314 179.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -60.68 -41.15 94.53 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.54 178.799 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.96 60.48 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 CA-C-N 113.365 -1.743 . . . . 0.0 109.042 175.774 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.94 -12.06 60.08 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 112.56 -2.109 . . . . 0.0 113.082 -168.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -71.8 145.39 48.7 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 114.203 -1.362 . . . . 0.0 107.501 171.073 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.2 t60 73.85 40.5 0.47 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 112.976 -1.92 . . . . 0.0 110.102 -171.068 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.2 p -124.62 -47.95 1.82 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 111.041 -2.8 . . . . 0.0 106.496 162.114 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -74.49 -43.26 56.83 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 112.351 -2.204 . . . . 0.0 109.004 175.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -37.07 86.02 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 112.799 -2.001 . . . . 0.0 110.296 174.096 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -89.28 19.05 4.6 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 113.038 -1.892 . . . . 0.0 112.08 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.53 4.5 52.0 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.159 176.233 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.93 74.38 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.246 -171.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -100.45 153.14 19.6 Favored 'General case' 0 C--N 1.36 1.03 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -78.86 104.79 9.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 165.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 32.4 t -127.07 113.68 33.66 Favored 'Isoleucine or valine' 0 C--N 1.351 0.642 0 CA-C-N 113.495 -1.684 . . . . 0.0 109.88 -173.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.59 HG23 HG22 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -90.95 110.95 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-N 110.899 -2.864 . . . . 0.0 107.551 165.653 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -85.88 97.96 10.51 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 112.989 -1.914 . . . . 0.0 107.131 171.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.86 -22.53 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.58 176.429 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 95.17 -87.24 1.03 Allowed Glycine 0 C--N 1.353 1.511 0 CA-C-N 113.217 -1.81 . . . . 0.0 112.289 151.757 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -109.14 170.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.346 0.428 0 CA-C-N 112.482 -1.859 . . . . 0.0 110.217 -175.204 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.95 144.7 4.46 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 110.581 -3.009 . . . . 0.0 112.666 -175.852 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 m -157.29 -79.33 0.08 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 111.255 -2.702 . . . . 0.0 108.471 179.478 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 t 170.03 155.09 0.05 Allowed 'General case' 0 C--N 1.351 0.648 0 O-C-N 124.877 1.36 . . . . 0.0 108.112 -177.275 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.436 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 88.6 mt-30 -48.01 -55.02 11.06 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 117.654 -1.165 . . . . 0.0 111.712 170.82 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -61.27 -16.44 45.54 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 124.935 1.397 . . . . 0.0 112.76 -176.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -91.34 -31.8 15.94 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.188 -177.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -76.53 -40.45 49.88 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 123.618 1.675 . . . . 0.0 111.669 176.523 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 3.9 mt -49.85 -37.12 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.734 0 CA-C-N 109.513 -3.494 . . . . 0.0 112.247 158.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -68.29 -28.81 67.51 Favored 'General case' 0 C--N 1.357 0.913 0 C-N-CA 119.328 -0.949 . . . . 0.0 111.195 -179.024 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.05 -49.43 77.42 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.316 1.01 . . . . 0.0 109.824 163.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -30.29 66.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 176.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.64 -37.29 68.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.644 174.859 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -72.21 -50.26 28.93 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 113.559 -1.655 . . . . 0.0 114.003 -172.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.632 ' HB ' HG21 ' A' ' 5' ' ' THR . 18.9 p -105.09 -25.73 12.4 Favored 'General case' 0 N--CA 1.424 -1.757 0 CA-C-N 113.471 -1.695 . . . . 0.0 112.946 -169.72 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 90.9 mttt 88.03 62.01 0.01 OUTLIER 'General case' 0 C--N 1.346 0.417 0 O-C-N 125.748 1.905 . . . . 0.0 109.975 175.274 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.641 ' HB2' HG22 ' A' ' 5' ' ' THR . . . -85.37 122.43 29.51 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 111.181 -2.736 . . . . 0.0 110.639 -174.528 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -84.44 -14.81 48.24 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 126.118 2.136 . . . . 0.0 109.281 172.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -136.45 144.34 44.35 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 124.383 2.04 . . . . 0.0 112.17 167.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.538 ' HB ' HD22 ' A' ' 88' ' ' LEU . 15.6 mt -132.14 120.7 44.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 1 CA-C-N 108.32 -4.037 . . . . 0.0 108.112 -177.541 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.01 140.89 36.69 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 112.684 -2.053 . . . . 0.0 109.688 175.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.22 121.45 37.66 Favored 'Isoleucine or valine' 0 C--N 1.344 0.358 0 CA-C-N 111.303 -2.68 . . . . 0.0 105.382 179.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.44 113.18 23.38 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 113.511 -1.677 . . . . 0.0 108.747 -173.171 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.84 126.23 47.42 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 -175.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.2 mt -77.66 -39.79 43.85 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-N 113.851 -1.522 . . . . 0.0 110.678 -175.149 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' CG ' ' N ' ' A' ' 65' ' ' GLY . 49.2 t80 -88.64 -172.68 3.83 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 104.664 -2.347 . . . . 0.0 104.664 164.256 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.403 ' N ' ' CG ' ' A' ' 64' ' ' TYR . . . -77.78 49.46 3.12 Favored Glycine 0 CA--C 1.541 1.697 0 C-N-CA 120.812 -0.709 . . . . 0.0 111.683 161.627 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 1.22 36.96 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.724 -1.238 . . . . 0.0 111.615 -168.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.09 -18.91 70.94 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.848 -1.524 . . . . 0.0 113.569 -171.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.2 -31.24 71.49 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 117.271 -1.772 . . . . 0.0 110.342 176.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.2 mt -91.21 -44.49 14.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-N 112.256 -2.247 . . . . 0.0 111.202 -178.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -77.53 -56.21 4.72 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 113.773 -1.558 . . . . 0.0 112.463 -172.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.09 -37.3 46.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 112.045 -2.343 . . . . 0.0 111.373 -163.064 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.52 116.82 5.02 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 113.624 -1.625 . . . . 0.0 112.108 -168.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.33 32.55 31.0 Favored Glycine 0 C--N 1.352 1.424 0 CA-C-N 112.616 -2.084 . . . . 0.0 112.104 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 tp -75.76 -27.83 58.21 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 125.006 1.062 . . . . 0.0 112.663 162.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 64.9 ttp85 -73.23 -37.42 66.39 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 116.585 -2.046 . . . . 0.0 109.262 175.526 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.438 15.1 tp10 -77.57 -26.21 50.64 Favored 'General case' 0 CA--C 1.496 -1.13 0 N-CA-C 117.961 2.578 . . . . 0.0 117.961 172.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.263 1.1 tpmt? -76.2 -29.43 57.62 Favored 'General case' 0 CA--C 1.51 -0.566 0 O-C-N 125.255 1.597 . . . . 0.0 112.019 167.459 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.812 ' SG ' HG22 ' A' ' 86' ' ' ILE . 14.5 p -77.13 -43.01 35.64 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-O 123.485 1.612 . . . . 0.0 110.083 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.07 -37.57 87.91 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 109.476 -3.511 . . . . 0.0 108.469 176.674 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.283 29.1 mm-40 -73.33 -30.04 63.08 Favored 'General case' 0 C--N 1.359 0.989 0 CA-C-N 112.354 -2.203 . . . . 0.0 113.485 175.803 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -0.11 15.14 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 113.447 -1.706 . . . . 0.0 112.92 -177.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.68 37.85 18.58 Favored Glycine 0 C--N 1.351 1.361 0 C-N-CA 120.06 -1.067 . . . . 0.0 110.963 -177.366 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.3 mt -123.12 -165.32 1.3 Allowed 'General case' 0 C--N 1.348 0.507 0 CA-C-N 112.039 -2.081 . . . . 0.0 105.846 171.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 86' ' ' ILE 0.326 61.6 mmtt -70.83 -173.42 0.78 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.445 -2.161 . . . . 0.0 114.243 -175.654 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -97.21 49.98 1.49 Allowed Glycine 0 C--N 1.345 1.045 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 158.727 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.812 HG22 ' SG ' ' A' ' 78' ' ' CYS . 0.1 OUTLIER -63.74 140.94 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.732 -3.734 . . . . 0.0 106.925 -167.187 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -87.47 117.03 25.99 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 109.768 -3.378 . . . . 0.0 108.226 -159.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.544 HD21 ' CG2' ' A' ' 86' ' ' ILE . 21.6 mt -110.65 140.34 45.09 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 113.424 -1.716 . . . . 0.0 110.952 -163.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 17.6 m-30 -107.67 145.34 33.51 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 110.565 -3.016 . . . . 0.0 107.103 172.058 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.9 p -136.25 123.96 34.5 Favored 'Isoleucine or valine' 0 C--N 1.352 0.68 0 CA-C-N 114.235 -1.348 . . . . 0.0 108.157 170.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -119.19 152.17 17.34 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 113.819 -1.537 . . . . 0.0 113.334 -164.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 80.84 -134.91 13.85 Favored Glycine 0 C--N 1.352 1.437 0 CA-C-N 110.817 -2.692 . . . . 0.0 110.406 174.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -74.97 145.71 42.3 Favored 'General case' 0 C--N 1.352 0.696 0 CA-C-N 112.756 -1.722 . . . . 0.0 107.179 164.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 7.5 pt -147.88 -36.16 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 CA-C-N 113.967 -1.47 . . . . 0.0 109.543 -175.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 12.3 p -115.28 162.55 13.26 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 CA-C-O 123.62 1.676 . . . . 0.0 108.922 -176.323 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.31 55.17 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 CA-C-N 108.959 -3.746 . . . . 0.0 108.202 178.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 70.19 -91.54 0.37 Allowed Glycine 0 C--N 1.35 1.328 0 CA-C-N 112.903 -1.953 . . . . 0.0 109.915 -169.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp 48.97 51.56 15.91 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 112.643 -1.779 . . . . 0.0 110.471 -177.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 76.9 -132.38 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 109.534 -3.484 . . . . 0.0 107.954 -169.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -154.51 152.95 30.69 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 124.402 1.063 . . . . 0.0 108.277 -178.195 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.5 1.5 m-90 22.32 -67.0 0.0 OUTLIER Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 130.397 3.479 . . . . 0.0 119.572 161.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.88 -50.56 11.5 Favored 'Trans proline' 0 CA--C 1.554 1.505 0 CA-C-N 120.41 1.182 . . . . 0.0 115.165 169.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -80.06 -35.64 36.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 113.475 -1.693 . . . . 0.0 112.681 177.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 71.1 t -70.73 -43.88 76.9 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 119.562 -0.855 . . . . 0.0 110.82 -173.359 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -71.91 -28.24 63.36 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.088 177.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -58.57 -42.81 88.79 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 119.036 -1.066 . . . . 0.0 110.978 172.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.6 mtp-105 -72.91 -50.12 25.52 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 113.817 -1.538 . . . . 0.0 111.965 -177.014 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -71.21 -46.43 61.22 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 113.857 -1.519 . . . . 0.0 111.59 -170.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 18.7 mtmm -75.47 -28.83 59.4 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 113.016 -1.902 . . . . 0.0 112.235 -175.284 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.14 Favored 'General case' 0 C--N 1.356 0.859 0 O-C-N 124.485 1.116 . . . . 0.0 111.169 175.595 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -43.86 96.09 Favored 'General case' 0 C--N 1.355 0.837 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.925 174.141 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.468 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 163.8 -11.46 0.09 OUTLIER Glycine 0 C--N 1.355 1.621 0 C-N-CA 118.72 -1.705 . . . . 0.0 114.217 178.472 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -68.24 135.14 51.53 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 122.59 1.186 . . . . 0.0 111.182 -176.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -68.7 -56.97 6.41 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 111.768 -2.469 . . . . 0.0 109.848 -177.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -145.2 156.01 43.6 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 113.58 -1.645 . . . . 0.0 109.787 -179.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.22 139.0 51.27 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 CA-C-N 112.557 -2.11 . . . . 0.0 110.021 -179.849 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -106.58 126.14 31.09 Favored Pre-proline 0 C--N 1.359 1.004 0 O-C-N 124.867 1.354 . . . . 0.0 109.845 164.005 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -60.96 177.06 0.75 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 121.352 1.368 . . . . 0.0 114.067 167.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -76.97 119.05 4.95 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 121.006 1.138 . . . . 0.0 110.971 173.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 99.01 41.35 3.08 Favored Glycine 0 C--N 1.352 1.42 0 CA-C-N 112.762 -2.017 . . . . 0.0 111.892 178.375 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.4 m -102.09 137.13 40.78 Favored 'General case' 0 C--N 1.352 0.68 0 CA-C-N 113.588 -1.306 . . . . 0.0 109.436 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 p -59.97 160.16 17.22 Favored Pre-proline 0 CA--C 1.545 0.753 0 CA-C-N 111.997 -2.365 . . . . 0.0 110.222 170.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -83.16 -13.39 8.96 Favored 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 120.898 1.066 . . . . 0.0 114.773 170.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.82 -29.67 70.64 Favored 'General case' 0 C--N 1.357 0.931 0 C-N-CA 119.276 -0.97 . . . . 0.0 110.543 178.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.5 OUTLIER -66.57 -39.5 88.51 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.446 -1.707 . . . . 0.0 113.006 176.6 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 6.5 m -79.59 -34.49 40.75 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 127.244 2.84 . . . . 0.0 109.74 -171.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 76.0 mt -75.18 -40.24 43.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 CA-C-N 111.373 -2.648 . . . . 0.0 109.921 -179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.21 -30.87 63.82 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.095 -1.866 . . . . 0.0 110.047 174.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' A' ' 125' ' ' THR . 5.9 t0 -56.79 -55.41 34.69 Favored 'General case' 0 CA--C 1.552 1.042 0 CA-C-N 112.492 -2.14 . . . . 0.0 112.383 171.37 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptt? -71.92 -33.86 68.61 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.336 1.022 . . . . 0.0 111.825 -173.251 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -60.39 -57.13 14.07 Favored 'General case' 0 C--N 1.346 0.422 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.309 178.653 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -68.22 -30.96 70.15 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 113.981 -1.463 . . . . 0.0 113.937 -176.308 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.18 -39.0 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-N 114.202 -1.363 . . . . 0.0 111.166 177.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 33.9 mt -86.8 -5.63 59.05 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 124.801 1.313 . . . . 0.0 110.403 -178.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 60.94 59.34 10.31 Favored Glycine 0 C--N 1.357 1.702 0 CA-C-N 114.326 -1.306 . . . . 0.0 112.001 172.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.1 m -84.48 135.91 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 111.962 -2.119 . . . . 0.0 109.815 -170.828 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--N 1.351 0.633 0 CA-C-N 112.872 -1.967 . . . . 0.0 109.053 -175.8 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 CA-C-O 121.833 0.825 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.78 160.0 21.32 Favored 'General case' 0 C--N 1.35 0.624 0 CA-C-N 112.795 -2.002 . . . . 0.0 109.998 177.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' H ' ' HD3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -105.95 165.25 11.34 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-N 112.479 -2.146 . . . . 0.0 107.091 174.21 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -112.68 109.64 19.29 Favored 'General case' 0 C--N 1.35 0.608 0 O-C-N 124.869 1.356 . . . . 0.0 109.288 176.06 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 m -89.45 115.93 27.25 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 110.42 -3.082 . . . . 0.0 106.917 175.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.555 HG22 HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -105.92 149.23 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.905 0 N-CA-C 105.136 -2.172 . . . . 0.0 105.136 165.454 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.576 HG13 HG21 ' A' ' 37' ' ' ILE 0.29 0.9 OUTLIER -130.29 130.76 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.884 0 CA-C-N 108.659 -3.882 . . . . 0.0 103.498 -173.465 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -132.55 128.99 38.44 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.162 166.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.7 145.93 16.18 Favored Glycine 0 C--N 1.346 1.136 0 CA-C-N 111.732 -2.486 . . . . 0.0 109.032 173.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 p -97.47 120.74 47.2 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 118.231 -1.388 . . . . 0.0 107.787 175.184 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -109.53 144.14 18.34 Favored 'Isoleucine or valine' 0 C--N 1.348 0.509 0 CA-C-N 112.079 -2.328 . . . . 0.0 110.99 -167.739 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.27 97.33 1.6 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 110.48 -3.054 . . . . 0.0 112.243 160.679 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.1 m 44.27 65.52 1.03 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 111.165 -2.517 . . . . 0.0 112.165 175.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -73.19 109.52 6.77 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.836 -167.298 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 47.9 t -102.89 -74.71 0.63 Allowed 'General case' 0 C--N 1.353 0.75 0 CA-C-N 112.587 -2.097 . . . . 0.0 107.591 172.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -89.16 105.96 18.12 Favored 'General case' 0 C--N 1.354 0.788 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 164.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.25 60.3 3.17 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 113.005 -1.907 . . . . 0.0 111.197 -167.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.6 p -84.87 119.13 33.17 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.844 -1.525 . . . . 0.0 110.661 -179.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 165.7 -73.7 0.16 Allowed Glycine 0 C--N 1.35 1.306 0 CA-C-N 112.322 -2.217 . . . . 0.0 107.913 179.84 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -58.8 -26.82 64.47 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 112.446 -1.877 . . . . 0.0 112.933 174.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -95.47 -48.38 5.87 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.445 -173.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.7 mp -132.24 84.12 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -166.9 37.68 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 110.647 -2.979 . . . . 0.0 106.656 162.912 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -109.34 -32.63 7.1 Favored 'General case' 0 C--N 1.351 0.644 0 CA-C-N 112.09 -2.323 . . . . 0.0 109.966 -162.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -87.06 39.34 0.85 Allowed 'General case' 0 C--N 1.353 0.724 0 CA-C-N 113.986 -1.461 . . . . 0.0 112.008 -169.013 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.0 p -135.73 -51.93 0.74 Allowed 'General case' 0 C--N 1.347 0.484 0 CA-C-N 113.273 -1.785 . . . . 0.0 108.303 172.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -74.9 -47.81 28.0 Favored 'General case' 0 C--N 1.347 0.484 0 CA-C-N 112.877 -1.965 . . . . 0.0 110.958 -174.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -32.34 73.36 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.649 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -80.21 9.43 5.68 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 112.201 -2.272 . . . . 0.0 112.242 176.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -118.66 1.9 11.67 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 172.772 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.0 32.14 76.49 Favored Glycine 0 C--N 1.353 1.502 0 CA-C-N 113.581 -1.645 . . . . 0.0 111.544 -178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -77.61 161.19 28.02 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 116.373 -2.131 . . . . 0.0 107.296 174.229 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -90.41 104.41 17.0 Favored 'General case' 0 C--N 1.365 1.28 0 C-N-CA 114.64 -2.824 . . . . 0.0 104.203 160.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.29 141.14 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 111.179 -2.737 . . . . 0.0 107.936 -169.938 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 114.98 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 111.087 -2.779 . . . . 0.0 107.392 -163.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -85.8 97.93 10.46 Favored 'General case' 0 C--N 1.348 0.503 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 173.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -69.56 -28.49 37.97 Favored 'Isoleucine or valine' 0 C--N 1.349 0.573 0 CA-C-N 111.838 -2.437 . . . . 0.0 111.552 -166.343 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.03 -175.22 18.12 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-N 113.037 -1.892 . . . . 0.0 109.888 177.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -88.2 125.07 41.6 Favored 'Isoleucine or valine' 0 C--N 1.345 0.413 0 CA-C-N 111.176 -2.512 . . . . 0.0 108.887 174.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -172.68 150.3 2.15 Favored 'General case' 0 C--N 1.35 0.587 0 CA-C-N 112.797 -2.001 . . . . 0.0 109.651 166.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -104.67 61.54 0.71 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 112.386 -2.188 . . . . 0.0 107.419 175.784 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 t -160.74 113.34 1.97 Allowed 'General case' 0 C--N 1.353 0.738 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.281 -168.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.4 ' O ' ' HB ' ' A' ' 47' ' ' ILE . 83.8 mt-30 -47.87 -51.52 22.72 Favored 'General case' 0 C--O 1.214 -0.785 0 CA-C-N 112.378 -2.192 . . . . 0.0 112.956 168.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.24 -23.6 56.44 Favored 'General case' 0 CA--C 1.549 0.913 0 O-C-N 124.645 1.215 . . . . 0.0 112.956 -171.488 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -79.13 -39.32 33.89 Favored 'General case' 0 C--N 1.357 0.899 0 O-C-N 124.233 0.958 . . . . 0.0 111.688 177.095 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -38.13 56.7 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 123.002 1.382 . . . . 0.0 112.241 -176.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.4 ' HB ' ' O ' ' A' ' 43' ' ' GLN . 1.5 mt -49.85 -39.9 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 CA-C-N 109.959 -3.291 . . . . 0.0 111.916 160.514 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -71.19 -28.87 64.54 Favored 'General case' 0 C--N 1.357 0.897 0 O-C-N 124.366 1.041 . . . . 0.0 111.109 -175.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.0 -28.85 61.66 Favored 'General case' 0 C--O 1.213 -0.853 0 O-C-N 124.297 0.998 . . . . 0.0 110.394 169.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.63 -30.18 67.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 116.409 -2.116 . . . . 0.0 113.386 168.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.76 -42.13 85.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 C-N-CA 119.266 -0.974 . . . . 0.0 109.839 173.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -77.09 -50.26 13.44 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 113.919 -1.491 . . . . 0.0 112.989 -169.045 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.9 p -99.59 -27.22 13.79 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 125.493 1.746 . . . . 0.0 113.788 -170.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.5 mttp 92.65 68.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 126.198 2.186 . . . . 0.0 110.989 167.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.95 133.63 56.24 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-N 110.933 -2.849 . . . . 0.0 112.081 -173.192 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.2 -34.37 15.84 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 112.812 -1.994 . . . . 0.0 108.831 159.236 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.555 HD21 HG22 ' A' ' 6' ' ' ILE . 2.7 pt? -140.47 144.95 36.33 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 113.778 -1.556 . . . . 0.0 111.824 176.696 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' HD22 ' A' ' 88' ' ' LEU . 79.0 mt -125.67 128.63 72.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 110.869 -2.878 . . . . 0.0 106.864 179.256 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.5 t -113.62 141.01 47.71 Favored 'General case' 0 C--N 1.35 0.63 0 CA-C-N 112.731 -2.031 . . . . 0.0 109.146 -177.08 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -130.02 121.74 52.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 110.729 -2.942 . . . . 0.0 106.62 -179.195 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 112.69 25.22 Favored 'General case' 0 C--N 1.356 0.874 0 CA-C-N 113.696 -1.593 . . . . 0.0 107.292 178.487 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.5 p -100.77 116.62 33.1 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 118.354 -1.338 . . . . 0.0 109.262 -172.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.94 -38.96 90.44 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 110.914 -2.857 . . . . 0.0 110.276 -177.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 5.6 t80 100.34 61.38 0.0 OUTLIER 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 111.481 -2.6 . . . . 0.0 112.196 152.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -91.49 -25.48 23.29 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-N 110.424 -3.08 . . . . 0.0 109.544 151.441 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -171.08 77.0 0.07 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 114.035 -1.083 . . . . 0.0 110.594 -167.314 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.16 -43.14 9.91 Favored Glycine 0 C--N 1.351 1.375 0 CA-C-N 113.143 -1.844 . . . . 0.0 111.594 -168.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -68.42 -30.41 69.3 Favored 'General case' 0 C--N 1.349 0.551 0 CA-C-N 112.052 -2.074 . . . . 0.0 111.563 -179.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.7 mt -75.42 -44.33 41.86 Favored 'Isoleucine or valine' 0 C--N 1.35 0.623 0 CA-C-N 113.857 -1.52 . . . . 0.0 110.614 -168.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -77.19 -31.21 55.23 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 114.287 -1.324 . . . . 0.0 112.663 -176.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -78.08 -26.43 48.14 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 119.221 -0.992 . . . . 0.0 112.624 -173.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -54.41 111.7 0.84 Allowed 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.447 1.092 . . . . 0.0 113.073 -162.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.69 37.88 44.42 Favored Glycine 0 C--N 1.355 1.588 0 CA-C-N 113.146 -1.843 . . . . 0.0 111.869 175.208 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.1 tp -75.66 -25.9 57.2 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 124.783 0.931 . . . . 0.0 112.687 164.821 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HE ' ' CA ' ' A' ' 112' ' ' GLY . 4.4 tmm_? -73.04 -41.66 63.95 Favored 'General case' 0 C--O 1.217 -0.645 0 C-N-CA 117.213 -1.795 . . . . 0.0 107.363 179.14 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.415 19.6 tt0 -77.27 -25.95 51.95 Favored 'General case' 0 CA--C 1.497 -1.09 0 N-CA-C 117.388 2.366 . . . . 0.0 117.388 174.474 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.358 13.3 tppt? -76.11 -29.11 57.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 125.264 1.602 . . . . 0.0 113.046 166.172 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.85 -40.44 47.73 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 123.447 1.594 . . . . 0.0 110.705 175.222 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.252 3.9 m-20 -72.1 -30.02 64.67 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 110.183 -3.189 . . . . 0.0 111.388 175.792 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.289 28.2 mt-10 -73.38 -31.24 63.79 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 112.416 -2.174 . . . . 0.0 112.52 169.604 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 3.13 7.25 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 113.256 -1.793 . . . . 0.0 112.868 179.036 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.09 38.29 19.34 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 124.254 0.972 . . . . 0.0 110.943 176.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.533 ' HB3' HD13 ' A' ' 86' ' ' ILE . 20.0 mt -141.06 70.27 1.35 Allowed 'General case' 0 C--N 1.346 0.446 0 CA-C-N 111.925 -2.138 . . . . 0.0 106.799 -178.461 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.29 116.85 32.42 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.135 -2.302 . . . . 0.0 109.268 175.406 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 143.43 -20.47 2.24 Favored Glycine 0 C--N 1.346 1.105 0 CA-C-N 111.367 -2.651 . . . . 0.0 108.12 -165.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.533 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.8 mp -73.98 124.62 31.71 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 CA-C-N 112.472 -1.864 . . . . 0.0 109.05 169.494 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.83 137.75 46.27 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 110.283 -3.144 . . . . 0.0 107.018 165.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.544 HD22 ' HB ' ' A' ' 58' ' ' ILE . 8.3 mt -112.83 136.67 52.2 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 123.531 1.634 . . . . 0.0 112.63 -168.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -107.92 136.9 46.85 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 109.713 -3.403 . . . . 0.0 108.869 164.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.8 p -136.21 123.66 33.99 Favored 'Isoleucine or valine' 0 C--N 1.347 0.486 0 CA-C-N 112.666 -2.061 . . . . 0.0 107.685 174.719 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -144.07 152.19 24.05 Favored Glycine 0 C--N 1.348 1.244 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.363 -177.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.1 45.01 0.83 Allowed Glycine 0 C--N 1.353 1.478 0 CA-C-N 111.884 -2.158 . . . . 0.0 111.585 172.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 69.09 131.01 0.03 OUTLIER 'General case' 0 C--N 1.357 0.921 0 O-C-N 125.444 1.32 . . . . 0.0 109.846 178.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -137.12 -55.72 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 119.129 -1.028 . . . . 0.0 111.899 -162.805 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 11.3 t -107.7 146.19 14.07 Favored 'Isoleucine or valine' 0 C--N 1.354 0.765 0 CA-C-O 123.533 1.635 . . . . 0.0 108.55 179.41 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 84.2 t -106.06 148.23 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.001 0 CA-C-N 109.382 -3.554 . . . . 0.0 109.591 -156.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 92.81 29.24 10.87 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 111.781 -2.463 . . . . 0.0 110.839 -176.713 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 59.46 35.1 22.81 Favored 'General case' 0 C--N 1.355 0.843 0 CA-C-N 113.033 -1.584 . . . . 0.0 111.624 -174.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -80.67 125.94 30.65 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 112.622 -2.081 . . . . 0.0 108.746 -178.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -127.71 146.4 50.58 Favored 'General case' 0 C--N 1.352 0.689 0 O-C-N 125.448 1.718 . . . . 0.0 111.673 -164.374 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.437 8.2 m-90 27.45 -70.05 0.0 OUTLIER Pre-proline 0 C--N 1.349 0.576 1 C-N-CA 133.069 4.548 . . . . 0.0 118.292 158.808 . . . . . . . . 3 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -47.93 -48.22 16.82 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 CA-C-N 119.87 0.989 . . . . 0.0 114.159 170.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -71.82 -53.35 13.6 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-N 113.424 -1.716 . . . . 0.0 111.148 173.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.6 t -59.65 -59.15 4.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 O-C-N 124.821 1.326 . . . . 0.0 111.218 -167.781 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.12 -27.86 66.83 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.34 -177.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.61 -49.99 75.45 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 117.423 -1.711 . . . . 0.0 111.67 173.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -73.45 -36.89 65.95 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.651 1.22 . . . . 0.0 112.222 -175.067 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -74.61 -44.94 48.2 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 124.767 1.292 . . . . 0.0 110.145 -170.696 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt -72.86 -28.89 62.78 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 112.734 -2.03 . . . . 0.0 111.655 179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.71 -39.15 93.17 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 124.683 1.239 . . . . 0.0 111.616 175.504 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -80.14 -20.92 43.8 Favored 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.518 1.136 . . . . 0.0 111.865 178.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.433 ' CA ' ' HE ' ' A' ' 75' ' ' ARG . . . 161.16 -38.65 0.42 Allowed Glycine 0 C--N 1.36 1.862 0 C-N-CA 117.325 -2.369 . . . . 0.0 115.612 171.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -50.99 146.13 6.52 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.651 1.215 . . . . 0.0 113.759 -169.107 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -75.15 -73.21 0.26 Allowed 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 112.459 -2.155 . . . . 0.0 110.038 178.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -144.97 156.17 43.81 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 124.175 0.922 . . . . 0.0 110.285 178.547 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.8 t -119.82 125.91 74.77 Favored 'Isoleucine or valine' 0 C--N 1.357 0.893 0 CA-C-N 112.933 -1.939 . . . . 0.0 109.447 -173.181 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.7 119.26 68.53 Favored Pre-proline 0 C--N 1.362 1.116 0 O-C-N 124.412 1.07 . . . . 0.0 111.881 178.319 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -60.3 176.39 0.81 Allowed 'Trans proline' 0 C--N 1.371 1.749 0 C-N-CA 121.61 1.54 . . . . 0.0 115.428 170.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -75.29 123.48 7.75 Favored 'Trans proline' 0 C--N 1.364 1.351 0 C-N-CA 121.151 1.234 . . . . 0.0 110.975 174.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.52 26.91 10.29 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 113.05 -1.886 . . . . 0.0 112.235 177.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.5 m -84.5 134.53 34.43 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 114.041 -1.079 . . . . 0.0 108.127 173.117 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -62.06 135.4 94.8 Favored Pre-proline 0 N--CA 1.446 -0.643 0 CA-C-N 113.084 -1.871 . . . . 0.0 107.612 166.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.442 ' O ' HG13 ' A' ' 127' ' ' ILE . 22.9 Cg_exo -61.75 -12.27 24.5 Favored 'Trans proline' 0 CA--C 1.541 0.856 0 N-CA-C 114.658 0.984 . . . . 0.0 114.658 174.57 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -70.61 -29.68 66.14 Favored 'General case' 0 C--N 1.357 0.92 0 O-C-N 124.652 1.22 . . . . 0.0 111.66 -176.512 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -59.07 -31.9 69.3 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 113.476 -1.693 . . . . 0.0 113.112 172.624 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.1 m -79.55 -30.87 41.89 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 126.782 2.551 . . . . 0.0 108.622 -173.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 123' ' ' PRO . 2.6 mt -75.08 -39.08 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 112.519 -2.128 . . . . 0.0 110.962 178.378 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.8 63.69 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 113.025 -1.898 . . . . 0.0 110.384 173.02 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' THR . 15.6 t0 -59.67 -55.22 37.17 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 112.998 -1.91 . . . . 0.0 112.07 171.233 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.4 ptp -69.59 -28.98 66.41 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 124.128 0.893 . . . . 0.0 111.942 -173.062 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.34 -57.11 8.17 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 124.628 1.205 . . . . 0.0 109.369 174.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -55.35 -35.5 65.3 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 114.115 -1.402 . . . . 0.0 114.71 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.6 t -70.64 -47.12 66.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.387 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.6 15.95 8.62 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 124.536 1.148 . . . . 0.0 112.689 -170.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 74.1 56.42 5.26 Favored Glycine 0 C--N 1.354 1.557 0 CA-C-O 122.031 0.795 . . . . 0.0 111.748 175.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.1 t -151.63 167.81 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-N 112.29 -1.955 . . . . 0.0 106.819 -174.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 CA--C 1.541 0.618 0 CA-C-N 114.311 -1.313 . . . . 0.0 109.397 174.904 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 ptp . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 121.835 0.826 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -115.65 -26.88 7.28 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 112.558 -2.11 . . . . 0.0 110.079 174.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 166.02 24.36 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 113.635 -1.621 . . . . 0.0 110.432 -175.923 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -117.13 127.11 53.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 109.66 -3.427 . . . . 0.0 108.671 -175.172 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.487 HG21 ' HB ' ' A' ' 53' ' ' THR . 27.2 m -94.57 131.23 40.54 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 112.38 -2.191 . . . . 0.0 107.374 173.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.441 HD13 HG21 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -118.57 149.35 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 C-N-CA 128.664 2.786 . . . . 0.0 104.856 168.086 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.43 HG12 HG23 ' A' ' 58' ' ' ILE 0.257 1.3 t -130.06 134.74 62.33 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 108.549 -3.932 . . . . 0.0 104.052 -172.016 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -132.55 129.62 39.28 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 125.244 1.59 . . . . 0.0 108.606 172.4 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.16 145.1 16.02 Favored Glycine 0 C--N 1.346 1.111 0 N-CA-C 107.972 -2.051 . . . . 0.0 107.972 168.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG11 ' HA ' ' A' ' 17' ' ' ALA . 90.6 t -97.63 120.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 N-CA-C 104.602 -2.37 . . . . 0.0 104.602 178.32 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.0 tt -110.66 137.1 44.5 Favored 'Isoleucine or valine' 0 C--N 1.349 0.57 0 CA-C-N 112.793 -2.003 . . . . 0.0 110.001 -164.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.29 35.28 9.7 Favored Glycine 0 CA--C 1.538 1.507 0 CA-C-N 111.423 -2.626 . . . . 0.0 111.22 -173.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.9 p -150.59 -175.39 5.09 Favored 'General case' 0 C--N 1.349 0.582 0 CA-C-N 112.615 -1.792 . . . . 0.0 108.4 179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -169.97 32.54 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 112.381 -2.19 . . . . 0.0 108.362 158.105 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 88.7 m -163.06 -59.42 0.04 OUTLIER 'General case' 0 C--N 1.351 0.666 0 CA-C-N 113.185 -1.825 . . . . 0.0 108.815 -172.393 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -87.55 127.8 35.25 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.96 -1.927 . . . . 0.0 109.411 -174.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.612 ' HA ' HG11 ' A' ' 10' ' ' VAL . . . -98.81 -4.98 32.02 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 113.293 -1.776 . . . . 0.0 112.366 -176.267 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.3 p 45.64 47.9 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 122.781 1.277 . . . . 0.0 112.021 -178.289 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.22 -105.87 3.24 Favored Glycine 0 C--N 1.35 1.346 0 CA-C-N 112.15 -2.295 . . . . 0.0 109.06 -167.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.4 t30 64.73 48.21 2.57 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 113.348 -1.426 . . . . 0.0 109.566 -175.345 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -140.8 -35.3 0.49 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 112.143 -2.299 . . . . 0.0 109.498 -174.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -36.89 76.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-N 113.69 -1.595 . . . . 0.0 107.42 162.591 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.44 -7.15 48.34 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 110.702 -2.954 . . . . 0.0 111.431 179.27 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -148.19 83.81 1.5 Allowed 'General case' 0 C--N 1.358 0.956 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.166 -178.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -169.74 -52.81 0.02 OUTLIER 'General case' 0 C--N 1.347 0.498 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.154 174.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.6 t -81.78 -20.53 39.01 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 125.913 2.008 . . . . 0.0 110.54 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -72.73 -43.5 62.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 113.638 -1.619 . . . . 0.0 109.943 172.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -37.37 86.44 Favored 'General case' 0 C--N 1.349 0.556 0 CA-C-N 112.427 -2.17 . . . . 0.0 109.881 176.179 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -93.85 37.79 1.08 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.858 -1.973 . . . . 0.0 110.707 173.665 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.74 17.73 7.4 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 114.166 -1.379 . . . . 0.0 107.998 165.163 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.52 30.84 79.0 Favored Glycine 0 C--N 1.357 1.744 0 CA-C-N 112.929 -1.941 . . . . 0.0 112.69 178.126 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -97.22 152.83 18.46 Favored 'General case' 0 C--N 1.362 1.111 0 C-N-CA 117.686 -1.605 . . . . 0.0 108.13 -179.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -78.62 104.58 9.32 Favored 'General case' 0 C--N 1.352 0.675 0 CA-C-N 112.474 -2.148 . . . . 0.0 105.377 157.008 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.1 t -115.41 108.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.347 0.469 0 CA-C-N 112.544 -2.116 . . . . 0.0 106.27 -174.432 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.4 t -101.01 110.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.35 0.604 0 CA-C-N 112.373 -2.194 . . . . 0.0 107.921 -168.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -85.88 97.91 10.48 Favored 'General case' 0 C--N 1.349 0.58 0 CA-C-N 112.837 -1.983 . . . . 0.0 107.401 176.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.6 -35.23 44.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 113.061 -1.882 . . . . 0.0 110.681 -171.022 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.48 171.02 13.04 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-N 113.735 -1.575 . . . . 0.0 110.72 179.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 m -81.44 118.37 29.09 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-N 112.339 -1.93 . . . . 0.0 109.074 175.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.52 134.61 0.86 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 113.069 -1.878 . . . . 0.0 107.568 -179.829 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.9 p -87.21 78.56 8.8 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.241 -1.345 . . . . 0.0 112.181 -179.646 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.23 132.79 0.14 Allowed 'General case' 0 C--N 1.354 0.79 0 CA-C-O 123.389 1.566 . . . . 0.0 112.979 171.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -50.8 -55.34 17.29 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 110.584 -3.007 . . . . 0.0 114.524 167.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tp10 -64.48 -17.95 64.32 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 118.879 -1.128 . . . . 0.0 111.905 -171.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -73.97 -43.73 57.17 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-N 114.829 -1.078 . . . . 0.0 111.441 173.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.3 -39.29 54.57 Favored 'General case' 0 C--N 1.358 0.936 0 CA-C-O 123.136 1.446 . . . . 0.0 113.107 -175.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.79 -33.49 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-N 109.96 -3.291 . . . . 0.0 112.809 161.489 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.47 -28.85 65.32 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 124.057 0.848 . . . . 0.0 111.664 -179.813 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.47 -28.72 63.09 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 124.684 1.24 . . . . 0.0 110.74 166.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.53 -30.23 66.92 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 116.048 -2.261 . . . . 0.0 113.044 167.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 81.3 mt -68.86 -38.05 78.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.836 171.508 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -76.56 -50.39 14.01 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-N 114.568 -1.196 . . . . 0.0 111.868 -167.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.487 ' HB ' HG21 ' A' ' 5' ' ' THR . 22.4 p -99.86 -27.73 13.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 112.855 -1.975 . . . . 0.0 113.708 -172.607 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp 89.97 63.88 0.01 OUTLIER 'General case' 0 C--N 1.342 0.269 0 O-C-N 125.81 1.944 . . . . 0.0 109.809 174.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.97 122.65 27.54 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 110.476 -3.056 . . . . 0.0 111.244 -171.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.09 -28.76 63.52 Favored 'General case' 0 C--N 1.35 0.591 0 O-C-N 126.266 2.228 . . . . 0.0 110.222 173.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -140.2 144.68 36.71 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-N 113.694 -1.593 . . . . 0.0 111.14 177.112 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.562 ' HB ' HD22 ' A' ' 88' ' ' LEU . 32.6 mt -127.0 123.94 63.53 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 109.977 -3.283 . . . . 0.0 107.94 -175.29 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 48.9 t -115.17 114.86 25.84 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-N 112.667 -2.061 . . . . 0.0 110.443 -168.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.88 121.91 48.92 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 CA-C-N 113.205 -1.816 . . . . 0.0 108.065 175.289 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 t -113.28 112.85 24.42 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 111.619 -2.537 . . . . 0.0 107.641 -175.719 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.447 ' HB3' ' HA3' ' A' ' 67' ' ' GLY . 55.8 m -100.63 154.78 18.3 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 114.344 -1.298 . . . . 0.0 109.987 -165.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 HD11 HG12 ' A' ' 10' ' ' VAL . 6.7 mp -93.35 -74.37 0.53 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 111.278 -2.692 . . . . 0.0 108.045 175.738 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 155.09 154.35 0.01 OUTLIER 'General case' 0 C--N 1.354 0.765 0 C-N-CA 126.941 2.096 . . . . 0.0 107.333 175.113 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.66 -48.11 1.0 Allowed Glycine 0 C--N 1.349 1.299 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.53 -172.931 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -150.58 48.12 0.88 Allowed 'General case' 0 C--N 1.354 0.784 0 CA-C-N 113.331 -1.434 . . . . 0.0 108.625 177.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.502 ' O ' ' SG ' ' A' ' 71' ' ' CYS . . . -78.6 -45.39 9.61 Favored Glycine 0 C--N 1.349 1.302 0 C-N-CA 118.218 -1.944 . . . . 0.0 109.794 171.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.92 -27.91 39.84 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 110.785 -2.707 . . . . 0.0 111.813 -177.859 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mm -82.33 -44.52 19.59 Favored 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.46 -176.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -77.32 -36.18 54.17 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.265 -171.183 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 67' ' ' GLY . 27.6 p -78.06 -26.36 48.2 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 114.225 -1.352 . . . . 0.0 113.927 -170.798 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -70.7 111.95 6.56 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 114.423 -1.262 . . . . 0.0 111.09 -164.502 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.52 40.18 8.52 Favored Glycine 0 C--N 1.358 1.756 0 CA-C-N 113.884 -1.507 . . . . 0.0 110.621 -178.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.494 ' HG ' ' CD1' ' A' ' 88' ' ' LEU . 11.8 tp -75.38 -25.84 58.0 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 111.033 -2.583 . . . . 0.0 110.459 158.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' N ' HD12 ' A' ' 88' ' ' LEU . 3.4 tmm_? -73.03 -33.63 65.84 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 118.614 -1.234 . . . . 0.0 108.884 173.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.357 9.1 tp10 -77.32 -26.17 51.89 Favored 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 116.585 2.069 . . . . 0.0 116.585 171.191 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -76.01 -29.45 58.15 Favored 'General case' 0 C--N 1.321 -0.639 0 O-C-N 125.605 1.815 . . . . 0.0 112.79 166.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.7 t -77.38 -39.25 47.96 Favored 'General case' 0 CA--C 1.509 -0.628 0 O-C-N 125.369 1.668 . . . . 0.0 111.322 177.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.97 -37.96 75.94 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 109.607 -3.451 . . . . 0.0 108.357 174.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.276 28.2 mm-40 -73.22 -29.81 63.05 Favored 'General case' 0 C--N 1.355 0.826 0 CA-C-N 112.343 -2.208 . . . . 0.0 112.528 176.67 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.93 -1.16 18.53 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 113.147 -1.842 . . . . 0.0 112.829 178.668 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.99 43.45 13.94 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 124.23 0.956 . . . . 0.0 110.723 179.109 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 57.1 mt -146.37 63.23 1.22 Allowed 'General case' 0 C--N 1.347 0.488 0 CA-C-N 111.9 -2.15 . . . . 0.0 107.904 -177.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.81 124.6 47.71 Favored 'General case' 0 C--N 1.348 0.519 0 CA-C-N 112.619 -2.082 . . . . 0.0 110.66 -176.535 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 139.5 -27.96 2.58 Favored Glycine 0 C--N 1.351 1.374 0 N-CA-C 107.475 -2.25 . . . . 0.0 107.475 -175.852 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.702 HG22 HD21 ' A' ' 88' ' ' LEU . 36.7 mt -66.6 124.86 22.67 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.0 0 CA-C-N 110.538 -2.831 . . . . 0.0 111.376 168.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.555 ' C ' HD23 ' A' ' 88' ' ' LEU . 3.8 mppt? -95.79 136.53 36.08 Favored 'General case' 0 C--N 1.348 0.528 0 CA-C-N 110.985 -2.825 . . . . 0.0 108.863 177.009 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 86' ' ' ILE . 2.1 mt -122.28 137.04 54.98 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 113.127 -1.851 . . . . 0.0 111.642 -169.461 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -110.04 138.32 46.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 109.357 -3.565 . . . . 0.0 108.942 -178.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' CZ ' ' A' ' 113' ' ' PHE . 9.8 p -128.27 123.8 60.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 CA-C-N 113.685 -1.598 . . . . 0.0 107.57 171.514 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -136.96 151.05 20.83 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 113.753 -1.567 . . . . 0.0 112.202 -168.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 94.78 -131.64 10.8 Favored Glycine 0 C--N 1.349 1.303 0 CA-C-N 110.961 -2.619 . . . . 0.0 111.168 166.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -89.32 68.39 7.98 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 112.364 -1.918 . . . . 0.0 110.204 -165.282 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.5 pt -97.84 -60.61 2.61 Favored 'Isoleucine or valine' 0 C--N 1.359 0.981 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.811 -159.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.511 HG11 HG21 ' A' ' 104' ' ' VAL . 13.8 p -131.82 149.48 32.85 Favored 'Isoleucine or valine' 0 C--N 1.358 0.973 0 CA-C-O 125.419 2.533 . . . . 0.0 113.232 -163.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.6 t -73.19 171.18 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.161 1 CA-C-N 106.359 -4.928 . . . . 0.0 108.482 -165.701 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -52.73 -35.39 46.38 Favored Glycine 0 CA--C 1.542 1.747 0 CA-C-N 113.547 -1.66 . . . . 0.0 111.757 169.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.14 113.7 6.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 112.819 -1.69 . . . . 0.0 108.243 163.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 74.08 100.86 0.07 Allowed 'General case' 0 C--N 1.352 0.692 0 CA-C-N 112.87 -1.968 . . . . 0.0 109.623 -169.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -125.61 130.72 52.2 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 113.988 -1.46 . . . . 0.0 108.328 173.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.602 3.7 m-90 21.21 -72.77 0.0 OUTLIER Pre-proline 0 C--N 1.352 0.701 0 C-N-CA 130.981 3.713 . . . . 0.0 119.924 -178.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.08 -33.06 20.02 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 115.453 1.29 . . . . 0.0 115.453 171.771 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -80.15 -47.04 15.37 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.638 174.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.511 HG21 HG11 ' A' ' 95' ' ' VAL . 58.1 t -65.73 -54.24 29.88 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.374 -171.094 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.36 -32.35 73.75 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 113.652 -1.613 . . . . 0.0 112.083 176.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -59.19 -50.04 75.57 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 117.468 -1.693 . . . . 0.0 111.829 173.876 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.95 -50.78 15.55 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 124.819 1.324 . . . . 0.0 112.658 -169.011 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.09 -38.44 90.74 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 113.57 -1.65 . . . . 0.0 109.584 -172.883 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -75.37 -28.5 59.54 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 112.557 -2.11 . . . . 0.0 112.656 174.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.2 70.17 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 123.948 0.78 . . . . 0.0 112.415 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -66.64 -55.09 16.82 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 117.779 -1.568 . . . . 0.0 109.753 170.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 147.5 20.04 0.1 OUTLIER Glycine 0 C--N 1.352 1.472 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.363 173.263 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.543 ' CZ ' HG12 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -81.21 146.25 30.58 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 179.933 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -63.24 -84.64 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 118.956 -1.098 . . . . 0.0 113.878 -164.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 61.2 mtt-85 -145.18 155.98 43.6 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-O 121.619 0.723 . . . . 0.0 111.155 -167.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.78 128.72 75.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.041 0 CA-C-N 113.176 -1.829 . . . . 0.0 110.814 -168.074 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.514 ' HB3' HG21 ' A' ' 121' ' ' THR . 7.7 m-85 -101.56 144.63 28.95 Favored Pre-proline 0 C--N 1.363 1.163 0 O-C-N 124.542 1.151 . . . . 0.0 113.135 168.833 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -59.22 176.89 0.44 Allowed 'Trans proline' 0 C--N 1.375 1.947 0 C-N-CA 123.071 2.514 . . . . 0.0 115.684 175.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -74.86 118.34 5.25 Favored 'Trans proline' 0 C--N 1.363 1.304 0 C-N-CA 121.543 1.495 . . . . 0.0 110.903 163.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 85.85 60.16 1.81 Allowed Glycine 0 C--N 1.353 1.474 0 CA-C-N 112.79 -2.005 . . . . 0.0 111.654 178.277 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -102.09 137.46 40.34 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 112.84 -1.68 . . . . 0.0 109.977 -179.877 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.8 160.93 0.57 Allowed Pre-proline 0 CA--C 1.551 0.982 0 CA-C-N 112.398 -2.183 . . . . 0.0 110.883 159.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -83.04 -18.76 6.09 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 120.985 1.124 . . . . 0.0 112.862 173.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.47 -29.72 67.44 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 113.825 -1.534 . . . . 0.0 111.27 -172.089 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 1.4 m -67.2 -36.37 81.57 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 113.896 -1.502 . . . . 0.0 113.027 178.648 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 m -79.69 -33.53 41.01 Favored 'General case' 0 N--CA 1.447 -0.585 0 O-C-N 127.15 2.781 . . . . 0.0 109.599 -175.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 80.5 mt -75.46 -36.26 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 CA-C-N 111.77 -2.468 . . . . 0.0 111.279 177.679 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.4 -30.87 63.55 Favored 'General case' 0 C--N 1.347 0.469 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.956 170.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 125' ' ' THR . 1.1 t70 -58.97 -55.24 37.72 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 112.266 -2.243 . . . . 0.0 112.012 170.908 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 130' ' ' MET . 0.0 OUTLIER -68.83 -28.8 67.06 Favored 'General case' 0 C--N 1.359 0.988 0 O-C-N 124.127 0.892 . . . . 0.0 111.6 -178.02 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -58.31 -57.25 13.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-N 113.877 -1.51 . . . . 0.0 108.779 179.158 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -76.22 -34.74 59.24 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 112.874 -1.966 . . . . 0.0 114.777 -176.218 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 24.2 t -68.13 -47.09 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.18 -176.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 54.4 mt -75.54 -16.83 60.22 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 124.732 1.27 . . . . 0.0 110.024 175.326 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 67.04 64.48 3.24 Favored Glycine 0 C--N 1.357 1.718 0 CA-C-N 114.048 -1.433 . . . . 0.0 110.684 172.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 20.0 m -92.79 148.48 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 CA-C-N 112.068 -2.066 . . . . 0.0 110.237 -163.245 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 CA--C 1.544 0.717 0 CA-C-N 112.852 -1.976 . . . . 0.0 110.139 179.505 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.1 mmt . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.699 0.762 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -81.66 -178.26 6.89 Favored 'General case' 0 C--N 1.352 0.685 0 CA-C-N 113.077 -1.874 . . . . 0.0 110.047 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.91 166.05 10.76 Favored 'General case' 0 C--N 1.351 0.635 0 CA-C-N 112.544 -2.116 . . . . 0.0 109.76 173.15 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -113.03 119.72 38.86 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 110.026 -3.261 . . . . 0.0 109.754 -169.451 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 55' ' ' ALA . 5.1 m -94.48 118.91 32.38 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 111.731 -2.486 . . . . 0.0 107.613 173.442 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 6' ' ' ILE . 0.0 OUTLIER -107.69 149.3 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 C-N-CA 128.335 2.654 . . . . 0.0 105.058 163.189 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.434 HG13 HG21 ' A' ' 37' ' ' ILE 0.283 1.0 OUTLIER -130.3 139.73 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.503 0 CA-C-N 110.235 -3.166 . . . . 0.0 104.522 -171.93 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' CYS . 1.4 pt? -132.75 129.3 38.47 Favored 'General case' 0 C--N 1.356 0.891 0 C-N-CA 116.911 -1.916 . . . . 0.0 110.919 170.523 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.411 ' HA3' ' CE2' ' A' ' 46' ' ' PHE . . . -123.92 145.27 15.89 Favored Glycine 0 C--N 1.353 1.513 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 167.402 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.1 t -97.75 120.74 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 169.718 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.605 HG21 ' SG ' ' A' ' 71' ' ' CYS . 13.6 tt -108.8 117.88 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 112.422 -2.172 . . . . 0.0 109.661 -159.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.32 74.69 0.79 Allowed Glycine 0 C--N 1.349 1.277 0 CA-C-N 112.097 -2.32 . . . . 0.0 110.495 -179.705 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.4 m -82.44 82.28 7.95 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 112.731 -1.734 . . . . 0.0 108.681 172.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.21 91.77 2.66 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 111.547 -2.569 . . . . 0.0 109.495 -177.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.4 t 86.92 -54.87 0.05 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-N 112.485 -2.143 . . . . 0.0 110.784 -176.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -131.64 151.37 51.67 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-N 113.81 -1.541 . . . . 0.0 109.084 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.53 -4.17 53.94 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 112.511 -2.131 . . . . 0.0 111.598 175.134 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t 53.04 52.37 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.933 0 O-C-N 124.917 1.386 . . . . 0.0 109.972 -177.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 68.1 -128.07 25.12 Favored Glycine 0 C--N 1.352 1.439 0 CA-C-N 112.235 -2.257 . . . . 0.0 109.722 -169.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 60.83 17.07 7.37 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-N 112.892 -1.654 . . . . 0.0 113.086 172.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -93.48 -48.85 6.19 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 114.291 -1.322 . . . . 0.0 110.346 -170.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.39 79.12 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.58 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 166.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 tt -135.12 45.12 2.54 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 111.804 -2.453 . . . . 0.0 107.568 175.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -96.37 57.11 1.64 Allowed 'General case' 0 C--N 1.352 0.714 0 CA-C-N 111.718 -2.492 . . . . 0.0 107.873 171.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -114.5 -47.97 2.89 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 111.983 -2.372 . . . . 0.0 108.292 -178.769 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.7 m -75.84 146.53 39.8 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 112.08 -2.327 . . . . 0.0 108.799 168.936 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HB2' HG21 ' A' ' 34' ' ' VAL . 2.2 m-30 85.98 -41.05 0.04 OUTLIER 'General case' 0 C--N 1.351 0.669 0 CA-C-N 111.489 -2.596 . . . . 0.0 109.211 -178.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -26.62 67.69 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 112.378 -2.192 . . . . 0.0 109.747 162.195 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -66.61 -6.07 13.94 Favored 'General case' 0 CA--C 1.549 0.939 0 CA-C-N 111.914 -2.403 . . . . 0.0 111.985 171.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.66 11.21 13.62 Favored 'General case' 0 C--N 1.359 0.982 0 O-C-N 123.988 0.805 . . . . 0.0 109.597 179.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.36 74.7 Favored Glycine 0 C--N 1.352 1.458 0 CA-C-N 113.057 -1.883 . . . . 0.0 112.438 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.56 161.32 27.96 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 116.234 -2.186 . . . . 0.0 109.594 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -79.22 103.9 9.47 Favored 'General case' 0 C--N 1.364 1.212 0 C-N-CA 114.722 -2.791 . . . . 0.0 104.437 154.65 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' A' ' 27' ' ' PHE 0.303 0.3 OUTLIER -128.03 137.32 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 CA-C-N 112.686 -2.052 . . . . 0.0 110.649 -178.99 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.3 t -133.12 110.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.35 0.595 0 CA-C-N 112.073 -2.331 . . . . 0.0 108.557 -162.069 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -85.84 123.32 31.06 Favored 'General case' 0 C--N 1.354 0.792 0 CA-C-O 122.536 1.16 . . . . 0.0 108.787 176.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.434 HG21 HG13 ' A' ' 7' ' ' VAL . 1.4 pp -97.09 -35.63 5.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 111.313 -2.676 . . . . 0.0 111.071 -160.278 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 161.42 140.03 2.78 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-N 114.079 -1.419 . . . . 0.0 111.443 -176.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 130.83 37.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 112.092 -2.054 . . . . 0.0 106.56 159.503 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.27 89.62 0.1 Allowed 'General case' 0 C--N 1.351 0.639 0 CA-C-N 114.016 -1.447 . . . . 0.0 109.78 -175.288 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.3 157.03 24.82 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 111.265 -2.698 . . . . 0.0 107.738 -172.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.16 174.68 5.75 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-N 112.963 -1.926 . . . . 0.0 109.049 -179.727 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' HG2' ' H ' ' A' ' 43' ' ' GLN . 3.4 mm100 -47.85 -43.16 28.0 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 112.644 -2.071 . . . . 0.0 112.583 -178.393 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -62.21 -22.35 65.86 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 124.866 1.354 . . . . 0.0 112.791 -173.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -83.04 -40.44 19.92 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 124.763 1.289 . . . . 0.0 112.043 179.551 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.577 ' CE2' HG12 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -76.47 -34.11 58.69 Favored 'General case' 0 C--N 1.359 1.0 0 CA-C-O 123.187 1.47 . . . . 0.0 112.005 -177.15 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.419 HG13 ' SG ' ' A' ' 78' ' ' CYS . 11.5 mt -49.75 -49.49 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-N 109.58 -3.464 . . . . 0.0 110.682 159.086 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -70.32 -28.88 65.52 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 124.651 1.22 . . . . 0.0 112.25 -169.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.29 -28.8 61.35 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 124.527 1.142 . . . . 0.0 111.564 171.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' CB ' ' HB3' ' A' ' 55' ' ' ALA . . . -75.7 -30.42 59.3 Favored 'General case' 0 C--O 1.22 -0.492 0 C-N-CA 116.661 -2.016 . . . . 0.0 112.536 171.669 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.9 -36.49 64.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 C-N-CA 119.761 -0.776 . . . . 0.0 109.221 174.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -77.04 -50.49 12.99 Favored 'General case' 0 C--N 1.352 0.694 0 CA-C-N 113.665 -1.607 . . . . 0.0 111.89 -171.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.8 p -103.08 -20.14 14.29 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 125.736 1.898 . . . . 0.0 115.418 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt 97.74 54.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.592 0 O-C-N 125.748 1.905 . . . . 0.0 111.303 165.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HB3' ' CB ' ' A' ' 50' ' ' ALA . . . -80.99 123.1 28.07 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 112.432 -2.167 . . . . 0.0 112.581 -169.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -89.91 -14.96 33.08 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-N 112.679 -2.055 . . . . 0.0 109.138 167.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 134' ' ' LEU 0.253 2.3 pt? -139.95 144.75 37.22 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 124.193 1.949 . . . . 0.0 112.85 171.751 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 88' ' ' LEU . 77.0 mt -130.81 107.91 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 108.547 -3.933 . . . . 0.0 107.452 -176.551 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 8' ' ' LEU . 51.8 t -104.82 114.47 28.7 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 113.139 -1.846 . . . . 0.0 109.605 -179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.577 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.3 m -106.42 148.25 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 112.287 -2.233 . . . . 0.0 109.992 179.719 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.8 t -107.65 128.84 54.91 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 113.654 -1.612 . . . . 0.0 108.497 164.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.7 m -100.61 118.24 36.37 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 125.363 1.665 . . . . 0.0 107.218 172.768 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 29.3 mt -77.72 -33.89 52.89 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 112.173 -2.285 . . . . 0.0 109.59 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.8 t80 94.77 154.44 0.02 OUTLIER 'General case' 0 C--N 1.351 0.631 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.144 171.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.32 -39.92 2.61 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-N 110.932 -2.849 . . . . 0.0 107.537 -155.424 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -151.21 49.17 0.84 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-N 113.26 -1.47 . . . . 0.0 109.877 174.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.03 -45.26 8.4 Favored Glycine 0 C--N 1.354 1.559 0 C-N-CA 117.384 -2.341 . . . . 0.0 111.156 179.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.13 -28.37 38.94 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-N 113.844 -1.178 . . . . 0.0 110.635 178.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 84.2 mt -70.84 -44.18 76.32 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 CA-C-N 113.805 -1.543 . . . . 0.0 109.946 -174.117 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -77.25 -56.11 4.84 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-N 113.958 -1.474 . . . . 0.0 111.551 177.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.605 ' SG ' HG21 ' A' ' 11' ' ' ILE . 68.0 m -66.89 -30.94 71.23 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.328 -1.306 . . . . 0.0 113.774 -164.0 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -57.53 114.01 2.05 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 124.303 1.002 . . . . 0.0 112.186 -174.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.87 31.21 58.39 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-N 112.965 -1.925 . . . . 0.0 112.759 177.425 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.7 tp -75.62 -26.51 57.87 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 124.794 0.938 . . . . 0.0 111.461 160.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.29 -46.75 82.24 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 117.769 -1.572 . . . . 0.0 109.164 174.13 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.426 13.8 tp10 -77.67 -26.47 50.35 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 118.258 2.688 . . . . 0.0 118.258 178.728 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.306 44.1 tttp -76.35 -29.34 57.18 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 125.349 1.655 . . . . 0.0 113.128 168.08 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . 0.451 ' HB2' HG21 ' A' ' 86' ' ' ILE . 91.3 m -77.38 -40.55 43.37 Favored 'General case' 0 C--N 1.345 0.387 0 CA-C-O 123.254 1.502 . . . . 0.0 111.519 175.526 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -63.73 -42.09 97.96 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 110.242 -3.163 . . . . 0.0 108.006 173.001 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.279 32.4 mt-10 -73.14 -29.7 63.06 Favored 'General case' 0 C--N 1.357 0.929 0 CA-C-N 112.143 -2.299 . . . . 0.0 112.674 -178.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.72 5.13 4.25 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 113.519 -1.673 . . . . 0.0 112.813 -177.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.86 42.74 8.04 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.908 172.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.8 mt -112.65 -128.9 0.29 Allowed 'General case' 0 C--N 1.349 0.575 0 CA-C-N 112.37 -1.915 . . . . 0.0 106.188 173.689 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . 0.253 0.9 OUTLIER -85.36 -170.61 3.21 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 123.655 1.693 . . . . 0.0 111.06 -172.909 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.07 56.59 2.14 Favored Glycine 0 N--CA 1.44 -1.1 1 N-CA-C 102.473 -4.251 . . . . 0.0 102.473 150.038 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.451 HG21 ' HB2' ' A' ' 78' ' ' CYS 0.261 2.0 tt -63.64 127.17 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.3 0 CA-C-N 109.649 -3.276 . . . . 0.0 110.184 -161.635 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' C ' HD23 ' A' ' 88' ' ' LEU . 62.6 mttp -87.75 116.78 26.14 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-N 109.579 -3.464 . . . . 0.0 106.572 -175.48 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 58' ' ' ILE . 3.2 mt -111.82 143.67 42.38 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 123.978 1.847 . . . . 0.0 108.804 -172.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -107.37 134.78 49.93 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 108.845 -3.798 . . . . 0.0 104.963 175.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.23 123.52 33.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.405 0 CA-C-N 113.215 -1.811 . . . . 0.0 106.248 178.143 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.53 152.07 20.34 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-N 113.646 -1.615 . . . . 0.0 112.152 -163.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.47 -148.5 17.52 Favored Glycine 0 C--N 1.351 1.376 0 CA-C-N 112.318 -1.941 . . . . 0.0 109.308 179.2 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -96.6 99.67 11.29 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 169.21 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 18.5 pt -103.91 -18.8 6.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.549 0 CA-C-N 112.888 -1.96 . . . . 0.0 112.047 -164.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 3.7 p -126.29 -156.6 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 161.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 81.3 t -56.84 144.12 9.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-N 112.612 -2.085 . . . . 0.0 110.971 -174.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -50.84 157.29 2.4 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-N 111.961 -2.382 . . . . 0.0 112.93 179.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 86.3 mttt 72.21 -159.09 0.11 Allowed 'General case' 0 C--N 1.353 0.758 0 CA-C-N 112.549 -1.825 . . . . 0.0 108.963 -172.343 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 77.6 123.87 0.04 OUTLIER 'General case' 0 C--N 1.349 0.562 0 CA-C-N 113.194 -1.821 . . . . 0.0 109.824 177.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -100.22 49.77 0.91 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-N 113.35 -1.75 . . . . 0.0 109.046 179.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . 0.474 ' CZ3' HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER 43.85 56.25 12.73 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 111.725 -2.489 . . . . 0.0 117.633 -177.793 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -82.29 -52.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.363 1.292 0 CA-C-O 122.755 1.065 . . . . 0.0 110.375 151.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -80.34 -38.46 30.49 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.845 -2.434 . . . . 0.0 112.324 -164.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.474 HG21 ' CZ3' ' A' ' 101' ' ' TRP . 46.8 t -78.09 -45.67 26.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 113.451 -1.704 . . . . 0.0 110.44 -157.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -74.27 -31.45 62.54 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 114.024 -1.444 . . . . 0.0 112.326 170.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -53.42 -43.52 68.04 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 117.735 -1.586 . . . . 0.0 112.003 172.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -50.07 12.77 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 113.998 -1.455 . . . . 0.0 111.125 -175.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -72.79 -43.38 62.85 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.222 -172.055 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -66.29 -28.65 68.86 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.156 -1.384 . . . . 0.0 112.233 175.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.59 -27.99 69.62 Favored 'General case' 0 C--N 1.359 0.984 0 O-C-N 124.027 0.829 . . . . 0.0 112.854 173.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 95.6 mmm -65.24 -42.2 93.59 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.266 169.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 141.47 11.81 0.53 Allowed Glycine 0 CA--C 1.537 1.46 0 CA-C-N 112.775 -2.012 . . . . 0.0 112.616 171.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -64.14 140.78 58.9 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-O 122.456 1.122 . . . . 0.0 109.343 177.089 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -67.66 -60.96 2.13 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.837 -2.438 . . . . 0.0 110.035 -173.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -145.18 156.23 43.74 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 113.507 -1.678 . . . . 0.0 109.537 -174.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.7 t -123.04 128.62 75.18 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 CA-C-N 112.937 -1.938 . . . . 0.0 110.026 176.193 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -89.31 145.91 35.01 Favored Pre-proline 0 C--N 1.357 0.91 0 O-C-N 124.775 1.297 . . . . 0.0 111.207 171.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -57.48 179.79 0.13 Allowed 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 122.78 2.32 . . . . 0.0 113.61 177.5 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -80.78 116.81 3.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 C-N-CA 120.919 1.079 . . . . 0.0 110.15 168.364 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 76.64 69.44 1.39 Allowed Glycine 0 C--N 1.351 1.41 0 CA-C-N 113.32 -1.764 . . . . 0.0 111.407 179.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.13 137.48 40.35 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 112.255 -1.973 . . . . 0.0 111.105 -173.466 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.31 157.18 1.24 Allowed Pre-proline 0 CA--C 1.549 0.931 0 CA-C-N 112.307 -2.224 . . . . 0.0 110.92 161.777 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.08 -14.65 8.41 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 120.94 1.093 . . . . 0.0 113.175 173.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -29.94 66.48 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.42 -175.111 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -68.36 -36.99 80.02 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 113.931 -1.486 . . . . 0.0 112.134 177.863 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.8 m -79.47 -31.32 42.4 Favored 'General case' 0 N--CA 1.442 -0.842 0 O-C-N 126.365 2.29 . . . . 0.0 109.607 -171.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 58.9 mt -74.18 -42.85 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 O-C-N 126.742 2.526 . . . . 0.0 110.107 178.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.18 -30.84 63.84 Favored 'General case' 0 CA--C 1.508 -0.658 0 CA-C-N 112.999 -1.909 . . . . 0.0 109.821 179.622 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 125' ' ' THR . 65.2 t0 -65.24 -49.74 68.48 Favored 'General case' 0 CA--C 1.56 1.348 0 O-C-N 126.36 2.287 . . . . 0.0 113.479 170.542 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 16.9 ptt? -69.66 -28.95 66.32 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 119.213 -0.995 . . . . 0.0 112.374 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -70.86 -52.31 21.06 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.099 -177.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -59.09 -57.24 13.92 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 117.582 -1.647 . . . . 0.0 113.826 178.436 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.1 p -64.24 -30.33 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.828 0 CA-C-N 112.236 -2.256 . . . . 0.0 114.278 -169.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.481 HD11 HD22 ' A' ' 57' ' ' LEU . 49.6 mt -93.93 -12.12 29.5 Favored 'General case' 0 C--N 1.357 0.923 0 O-C-N 124.07 0.856 . . . . 0.0 111.153 -177.778 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 90.23 80.22 1.36 Allowed Glycine 0 C--N 1.352 1.468 0 O-C-N 124.577 1.173 . . . . 0.0 110.491 177.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -149.01 155.8 8.22 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 CA-C-N 112.159 -2.021 . . . . 0.0 107.037 -175.101 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 . . . . . 0 CA--C 1.541 0.631 0 CA-C-N 112.955 -1.929 . . . . 0.0 109.288 -178.568 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 mtt . . . . . 0 CA--C 1.54 0.566 0 CA-C-O 121.721 0.772 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -69.3 -39.87 78.04 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-N 113.593 -1.639 . . . . 0.0 109.334 172.375 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 ptmt -105.86 165.33 11.26 Favored 'General case' 0 C--N 1.348 0.521 0 CA-C-N 111.34 -2.664 . . . . 0.0 107.579 171.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.3 mppt? -92.04 109.92 21.28 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.092 -1.413 . . . . 0.0 108.824 175.253 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 m -79.94 137.74 36.94 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 111.02 -2.809 . . . . 0.0 107.214 172.701 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.82 149.06 33.24 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.917 0 CA-C-O 124.484 2.088 . . . . 0.0 105.52 168.267 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.77 HG12 HD11 ' A' ' 37' ' ' ILE 0.352 3.9 t -130.52 116.58 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.207 1 CA-C-N 107.782 -4.281 . . . . 0.0 104.113 -175.739 . . . . . . . . 4 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 pp -129.03 128.93 44.63 Favored 'General case' 0 C--N 1.359 1.009 0 C-N-CA 116.812 -1.955 . . . . 0.0 109.952 177.636 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.616 ' N ' HD12 ' A' ' 37' ' ' ILE . . . -123.98 145.63 16.01 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 111.467 -2.606 . . . . 0.0 109.757 177.306 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.498 HG13 ' HA ' ' A' ' 39' ' ' VAL . 2.8 p -97.89 120.45 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 O-C-N 125.181 1.166 . . . . 0.0 108.472 170.737 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG21 ' SG ' ' A' ' 71' ' ' CYS . 0.6 OUTLIER -113.08 136.37 49.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.74 0 CA-C-N 111.557 -2.565 . . . . 0.0 111.503 -160.704 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' H ' ' CB ' ' A' ' 41' ' ' SER . . . 87.12 4.46 81.52 Favored Glycine 0 C--N 1.345 1.048 0 CA-C-N 110.821 -2.899 . . . . 0.0 112.304 -179.692 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.2 m -109.72 17.53 21.16 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 112.938 -1.631 . . . . 0.0 112.476 -158.683 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 69.1 -120.84 0.14 Allowed 'General case' 0 C--N 1.356 0.86 0 O-C-N 124.623 1.202 . . . . 0.0 110.517 168.735 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.1 t -124.53 50.48 1.7 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.613 168.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.451 ' H ' HG21 ' A' ' 39' ' ' VAL . 69.8 m80 -143.13 104.51 4.3 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-N 112.872 -1.967 . . . . 0.0 108.571 -178.809 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.25 89.99 8.02 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-N 114.026 -1.443 . . . . 0.0 110.227 -177.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -101.57 -53.32 7.68 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 CA-C-N 113.039 -1.891 . . . . 0.0 110.374 -175.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.87 -30.11 75.65 Favored Glycine 0 CA--C 1.538 1.525 0 CA-C-N 111.842 -2.436 . . . . 0.0 112.911 -175.329 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.06 -42.43 65.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 112.957 -1.622 . . . . 0.0 112.942 -177.449 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -73.63 -17.52 61.15 Favored 'General case' 0 C--N 1.353 0.721 0 O-C-N 124.489 1.118 . . . . 0.0 113.286 -171.723 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -72.38 -35.8 53.03 Favored 'Isoleucine or valine' 0 C--N 1.352 0.711 0 O-C-N 124.271 0.982 . . . . 0.0 108.718 172.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.1 mt -115.19 43.27 2.04 Favored 'General case' 0 C--N 1.35 0.595 0 CA-C-N 112.154 -2.293 . . . . 0.0 109.165 -173.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -157.69 82.62 0.88 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 112.925 -1.943 . . . . 0.0 108.243 174.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -58.7 -49.27 78.2 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 125.006 2.336 . . . . 0.0 108.042 159.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.549 ' HB2' ' H ' ' A' ' 29' ' ' ASN . 63.0 p 179.39 -66.52 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.436 1 CA-C-N 106.399 -4.91 . . . . 0.0 102.868 -176.305 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.649 ' HB3' HG21 ' A' ' 34' ' ' VAL . 7.7 m-85 75.75 -58.03 0.56 Allowed 'General case' 0 C--N 1.356 0.886 0 O-C-N 126.569 2.418 . . . . 0.0 106.124 -168.87 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -44.94 11.37 Favored 'General case' 0 C--N 1.353 0.732 0 C-N-CA 125.487 1.515 . . . . 0.0 112.303 165.408 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.549 ' H ' ' HB2' ' A' ' 26' ' ' SER . 30.6 t30 -105.63 12.51 31.07 Favored 'General case' 0 C--N 1.362 1.116 0 O-C-N 125.066 1.479 . . . . 0.0 110.861 -175.621 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.9 3.36 34.28 Favored 'General case' 0 C--N 1.361 1.085 0 C-N-CA 117.873 -1.531 . . . . 0.0 110.005 153.189 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 78.77 15.49 80.65 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-N 114.435 -1.257 . . . . 0.0 111.363 -174.164 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.89 145.61 25.44 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.705 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -78.97 104.68 9.78 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 179.493 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.649 HG21 ' HB3' ' A' ' 27' ' ' PHE . 80.8 t -127.26 140.59 48.68 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 O-C-N 124.872 1.357 . . . . 0.0 109.715 -166.398 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.4 t -132.92 110.91 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 110.812 -2.904 . . . . 0.0 106.772 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -85.84 114.17 22.56 Favored 'General case' 0 C--N 1.346 0.453 0 CA-C-N 113.293 -1.776 . . . . 0.0 107.556 179.175 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 7' ' ' VAL . 14.5 mt -68.95 -15.39 19.68 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 CA-C-N 111.735 -2.484 . . . . 0.0 109.922 179.416 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.75 -173.58 45.48 Favored Glycine 0 C--N 1.357 1.708 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 -176.137 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HA ' HG13 ' A' ' 10' ' ' VAL . 3.0 p -80.95 118.98 29.68 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 118.118 -1.433 . . . . 0.0 109.139 169.112 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 35.9 tp -162.35 145.88 11.69 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 110.674 -2.966 . . . . 0.0 108.198 172.227 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.4 ' CB ' ' H ' ' A' ' 12' ' ' GLY . 4.7 m -109.03 59.55 0.6 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-N 111.717 -2.492 . . . . 0.0 109.205 -174.079 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.87 123.51 3.66 Favored 'General case' 0 C--N 1.352 0.717 0 CA-C-N 112.655 -2.066 . . . . 0.0 110.999 -177.598 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.15 -28.75 3.12 Favored 'General case' 0 C--O 1.215 -0.759 0 CA-C-N 111.609 -2.542 . . . . 0.0 113.334 163.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -64.86 -38.96 92.74 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 124.083 0.864 . . . . 0.0 113.191 -171.592 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -84.08 -27.94 27.9 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 119.273 -0.971 . . . . 0.0 111.519 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.532 ' CG ' HD13 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -76.19 -33.63 59.29 Favored 'General case' 0 C--N 1.358 0.947 0 CA-C-O 122.783 1.278 . . . . 0.0 113.099 179.843 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mt -49.79 -48.14 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.8 0 CA-C-N 111.012 -2.813 . . . . 0.0 110.23 158.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -72.89 -29.14 62.93 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 125.186 1.554 . . . . 0.0 113.262 -164.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.426 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -74.22 -28.66 61.36 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 120.298 -0.561 . . . . 0.0 110.603 170.05 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.74 -30.22 65.37 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 116.621 -2.031 . . . . 0.0 112.98 167.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 90.5 mt -67.09 -40.99 86.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 C-N-CA 119.029 -1.068 . . . . 0.0 109.81 173.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -75.96 -50.27 15.39 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 113.764 -1.562 . . . . 0.0 111.924 -167.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.2 p -102.19 -27.76 12.69 Favored 'General case' 0 C--N 1.346 0.433 0 O-C-N 125.685 1.866 . . . . 0.0 114.511 -172.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 93.4 mttt 86.54 72.74 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.218 0 O-C-N 125.982 2.051 . . . . 0.0 109.546 177.176 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.34 133.51 55.2 Favored 'General case' 0 C--N 1.351 0.671 0 CA-C-N 109.92 -3.309 . . . . 0.0 110.222 176.498 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -89.99 -28.5 19.07 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 113.316 -1.766 . . . . 0.0 108.407 163.092 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . 0.263 2.6 pt? -140.6 145.02 36.13 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-N 114.301 -1.318 . . . . 0.0 112.879 173.382 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' HB ' ' CD2' ' A' ' 88' ' ' LEU . 45.5 mt -121.48 127.96 75.76 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 CA-C-N 112.522 -2.126 . . . . 0.0 107.592 173.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 52.4 t -115.1 114.89 25.92 Favored 'General case' 0 C--N 1.357 0.919 0 CA-C-N 113.671 -1.604 . . . . 0.0 110.168 -175.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -101.41 121.95 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 112.244 -2.253 . . . . 0.0 107.85 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 m -110.41 112.81 24.99 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-N 113.205 -1.816 . . . . 0.0 107.833 -174.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -135.12 164.44 27.65 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 124.604 2.145 . . . . 0.0 113.1 -172.619 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.2 mt -114.98 -6.57 12.55 Favored 'General case' 0 N--CA 1.444 -0.773 1 CA-C-N 107.901 -4.227 . . . . 0.0 110.322 -168.08 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 12.4 t80 71.5 31.16 2.33 Favored 'General case' 0 C--N 1.354 0.78 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.257 -156.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -67.88 -49.67 46.81 Favored Glycine 0 C--N 1.351 1.409 0 CA-C-N 111.671 -2.513 . . . . 0.0 108.12 161.848 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -164.27 58.85 0.15 Allowed 'General case' 0 C--N 1.353 0.718 0 CA-C-N 111.293 -2.454 . . . . 0.0 107.565 177.251 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.23 -45.6 8.75 Favored Glycine 0 C--N 1.353 1.51 0 C-N-CA 116.781 -2.628 . . . . 0.0 110.914 -174.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.29 -33.71 37.45 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-N 114.624 -0.788 . . . . 0.0 110.806 173.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.6 mm -74.79 -44.52 45.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 CA-C-N 113.538 -1.664 . . . . 0.0 110.576 -163.248 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -77.74 -56.29 4.64 Favored 'General case' 0 C--N 1.353 0.724 0 O-C-N 124.417 1.073 . . . . 0.0 112.296 168.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.454 ' SG ' HG21 ' A' ' 11' ' ' ILE . 7.5 m -72.68 -25.95 61.44 Favored 'General case' 0 C--N 1.358 0.958 0 C-N-CA 118.468 -1.293 . . . . 0.0 113.397 -154.727 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -64.53 113.57 3.78 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 119.126 -1.03 . . . . 0.0 110.231 178.328 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.66 33.77 37.13 Favored Glycine 0 C--N 1.35 1.319 0 CA-C-N 112.362 -2.199 . . . . 0.0 112.148 -176.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.4 tp -75.36 -25.79 58.01 Favored 'General case' 0 C--N 1.349 0.55 0 O-C-N 125.29 1.229 . . . . 0.0 109.481 152.158 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -53.65 -57.04 12.21 Favored 'General case' 0 C--N 1.35 0.629 0 O-C-N 124.652 1.22 . . . . 0.0 109.907 167.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . 0.463 11.1 pt-20 -77.27 -25.67 51.66 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 118.052 2.612 . . . . 0.0 118.052 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.323 70.7 mmtt -76.16 -29.41 57.72 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 125.09 1.494 . . . . 0.0 113.756 168.641 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' CYS . . . . . . . . . . . . . 44.9 t -76.19 -42.81 45.15 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 123.811 1.767 . . . . 0.0 109.47 174.197 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.253 5.5 m-20 -72.31 -27.85 62.71 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 109.766 -3.379 . . . . 0.0 111.8 179.056 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.291 17.3 mm-40 -73.52 -32.98 64.53 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 112.624 -2.08 . . . . 0.0 112.293 169.84 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.96 5.96 3.77 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 112.819 -1.991 . . . . 0.0 112.905 179.669 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.71 34.91 33.46 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-N 114.775 -1.102 . . . . 0.0 110.813 175.531 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.613 ' HB3' HD13 ' A' ' 86' ' ' ILE . 23.2 mt -136.77 59.01 1.71 Allowed 'General case' 0 C--N 1.347 0.479 0 CA-C-N 112.059 -2.07 . . . . 0.0 107.287 -175.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -94.06 112.4 24.22 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 112.347 -2.206 . . . . 0.0 109.034 171.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.31 -23.24 1.09 Allowed Glycine 0 C--N 1.343 0.971 0 CA-C-N 111.131 -2.758 . . . . 0.0 108.333 -166.856 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.613 HD13 ' HB3' ' A' ' 83' ' ' LEU . 1.7 mp -69.76 124.75 26.39 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.829 0 CA-C-N 112.309 -1.945 . . . . 0.0 109.451 167.362 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -91.34 135.85 33.52 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 110.581 -3.009 . . . . 0.0 107.352 160.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.544 ' CD2' ' HB ' ' A' ' 58' ' ' ILE . 23.6 mt -110.0 134.03 52.56 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 122.9 1.333 . . . . 0.0 111.181 -178.048 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -107.72 136.21 47.84 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 111.066 -2.788 . . . . 0.0 105.726 166.122 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -136.12 123.55 34.2 Favored 'Isoleucine or valine' 0 C--N 1.347 0.461 0 CA-C-N 113.691 -1.595 . . . . 0.0 107.254 177.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.6 144.78 16.81 Favored Glycine 0 C--N 1.349 1.259 0 CA-C-N 113.011 -1.904 . . . . 0.0 110.376 -172.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 131.47 -148.62 19.03 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 112.571 -1.814 . . . . 0.0 110.013 179.12 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -92.73 74.8 4.98 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 112.384 -1.908 . . . . 0.0 106.486 165.227 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.8 pt -73.81 -15.77 16.86 Favored 'Isoleucine or valine' 0 C--N 1.353 0.729 0 CA-C-N 112.381 -2.191 . . . . 0.0 112.207 -165.489 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.576 HG22 ' H ' ' A' ' 96' ' ' VAL . 9.5 p -133.63 -170.17 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 173.048 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.576 ' H ' HG22 ' A' ' 95' ' ' VAL . 11.3 p -64.99 97.66 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 111.454 -2.612 . . . . 0.0 110.636 -172.012 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 64.23 -106.08 1.32 Allowed Glycine 0 C--N 1.357 1.725 0 CA-C-N 111.716 -2.493 . . . . 0.0 109.155 -161.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.18 128.18 17.49 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 111.875 -2.162 . . . . 0.0 106.759 158.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -72.58 -3.16 23.03 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.708 -2.042 . . . . 0.0 111.852 178.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.4 m120 74.74 108.1 0.07 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.872 2.069 . . . . 0.0 110.318 178.01 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' TRP . . . . . . . . . . . . 0.402 2.5 m-90 5.31 -70.09 0.0 OUTLIER Pre-proline 0 C--N 1.354 0.781 0 N-CA-C 119.603 3.186 . . . . 0.0 119.603 179.149 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.56 -33.09 29.67 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 115.667 1.372 . . . . 0.0 115.667 -179.575 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -80.2 -45.97 17.13 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 112.981 -1.918 . . . . 0.0 112.374 175.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.5 t -67.66 -51.98 45.42 Favored 'Isoleucine or valine' 0 C--N 1.357 0.93 0 O-C-N 124.584 1.177 . . . . 0.0 110.659 -171.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.51 -38.54 87.75 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 113.415 -1.721 . . . . 0.0 112.056 175.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -61.45 -38.58 87.71 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 118.423 -1.311 . . . . 0.0 112.365 175.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -74.57 -53.24 9.79 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.455 -170.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -75.12 -45.87 38.17 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 113.295 -1.775 . . . . 0.0 111.214 -172.33 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -70.84 -28.8 64.87 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 113.137 -1.847 . . . . 0.0 112.059 -174.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.54 98.4 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 124.534 1.146 . . . . 0.0 111.387 173.76 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 12.3 ptm -79.55 1.63 25.18 Favored 'General case' 0 C--N 1.358 0.959 0 O-C-N 124.565 1.166 . . . . 0.0 113.091 177.146 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 138.49 -25.14 2.87 Favored Glycine 0 C--N 1.356 1.655 0 O-C-N 124.307 1.004 . . . . 0.0 114.144 159.708 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -52.52 143.62 15.22 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 122.582 1.182 . . . . 0.0 112.362 -170.109 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.67 -61.98 1.56 Allowed 'General case' 0 C--N 1.35 0.626 0 CA-C-N 112.035 -2.348 . . . . 0.0 109.054 -179.626 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 71.0 mtt-85 -145.37 156.21 43.64 Favored 'General case' 0 C--N 1.359 0.994 0 O-C-N 124.731 1.269 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 53.6 t -107.28 113.96 44.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 CA-C-N 111.376 -2.647 . . . . 0.0 109.05 176.335 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -97.84 147.16 32.66 Favored Pre-proline 0 CA--C 1.545 0.769 0 CA-C-N 113.211 -1.813 . . . . 0.0 109.776 174.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -65.59 179.05 1.84 Allowed 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 121.823 1.682 . . . . 0.0 114.336 176.944 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -86.3 124.27 2.39 Favored 'Trans proline' 0 C--N 1.362 1.239 0 C-N-CA 122.218 1.945 . . . . 0.0 108.937 160.225 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.25 42.9 7.74 Favored Glycine 0 C--N 1.347 1.166 0 CA-C-N 113.45 -1.704 . . . . 0.0 111.416 -177.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.05 137.37 41.42 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 112.793 -1.704 . . . . 0.0 108.992 171.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.39 128.81 83.2 Favored Pre-proline 0 CA--C 1.551 0.981 0 CA-C-N 113.858 -1.519 . . . . 0.0 108.624 159.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -77.92 -10.37 16.76 Favored 'Trans proline' 0 C--N 1.355 0.897 0 N-CA-C 114.938 1.092 . . . . 0.0 114.938 -178.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -74.09 -29.62 61.95 Favored 'General case' 0 C--N 1.355 0.846 0 O-C-N 124.274 0.984 . . . . 0.0 110.357 176.89 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 3.5 m -61.15 -33.51 73.53 Favored 'General case' 0 C--O 1.214 -0.815 0 CA-C-N 113.873 -1.512 . . . . 0.0 113.021 173.003 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.4 m -79.27 -32.59 43.72 Favored 'General case' 0 N--CA 1.449 -0.525 0 O-C-N 125.37 1.669 . . . . 0.0 108.708 -172.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 94.5 mt -75.0 -40.44 45.2 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.826 -177.038 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.35 -31.03 63.72 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 113.298 -1.773 . . . . 0.0 110.988 171.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . 0.272 10.4 t70 -74.25 -28.93 61.46 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 117.294 -1.763 . . . . 0.0 113.537 175.764 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' MET . . . . . . . . . . . . . 14.1 ptp -77.94 -29.0 49.7 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 119.848 -0.741 . . . . 0.0 111.393 174.022 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -65.12 -57.03 9.65 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 118.463 -1.295 . . . . 0.0 108.856 173.214 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -49.73 -43.47 47.82 Favored 'General case' 0 CA--C 1.548 0.888 0 CA-C-N 113.021 -1.9 . . . . 0.0 114.952 177.047 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.81 -39.68 59.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.978 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 41.9 mt -99.26 27.46 5.15 Favored 'General case' 0 C--N 1.354 0.79 0 O-C-N 124.17 0.919 . . . . 0.0 111.814 -169.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 73.02 54.02 7.4 Favored Glycine 0 C--N 1.353 1.504 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.473 172.564 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 1.6 t -150.73 159.12 4.68 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 112.83 -1.685 . . . . 0.0 106.999 -176.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 CA--C 1.549 0.93 0 O-C-N 124.771 1.295 . . . . 0.0 111.176 175.362 . . . . . . . . 0 0 . 1 stop_ save_